SCHEMBL7194641

SCHEMBL7194641

c1ncc(-c2cnc[nH]2)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.59
CYP3A4 P08684 2/20 0.59
ASIC3 Q9UHC3 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2E1 P05181 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 1/20 0.50
FKBP5 Q13451 1/20 0.50
HPGDS O60760 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL27258266 0.80 IDO1 (0.60) IDO1CYP3A4ASIC3POLBSMN1; SMN2
SCHEMBL17800997 0.80 IDO1 (0.75) IDO1CYP3A4ASIC3POLBSMN1; SMN2
SCHEMBL311306 0.76 IDO1 (1.00) IDO1CYP3A4ASIC3POLBSMN1; SMN2
SCHEMBL1578106 0.76 IDO1 (0.50) IDO1CYP3A4ASIC3POLBSMN1; SMN2
SCHEMBL2650627 0.76 IDO1 (0.68) IDO1CYP3A4ASIC3POLBSMN1; SMN2
SCHEMBL26259992 0.74 ADRA2A (0.66) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL26259980 0.74 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL27880327 0.74 IDO1 (0.67) IDO1CYP3A4ASIC3POLBSMN1; SMN2
SCHEMBL12075152 0.74 IDO1 (0.54) IDO1CYP3A4ASIC3POLBSMN1; SMN2
SCHEMBL2564383 0.72 IDO1 (0.47) IDO1CYP3A4ASIC3POLBSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586357-B1 Stereospecific catalysts; enantioselective reduction; transition metal complexes CHEMI S.P.A. (IT) 2003-07-01 US claimed
EP-0770085-B1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS CHEMI SPA (IT) 1999-09-22 EP claimed
EP-0770085-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.p.A. (IT) 1997-05-02 EP claimed
WO-1996001831-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.P.A. (IT) 1996-01-25 WO claimed
WO-2020017920-A1 POLYIMIDE RESIN AND NEGATIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION COMPRISING SAME 주식회사 엘지화학 2020-01-23 WO disclosed
CN-106536589-A High heat monomer and method of use thereof 沙特基础工业全球技术有限公司 2017-03-22 CN disclosed
US-6586357-B1 Stereospecific catalysts; enantioselective reduction; transition metal complexes CHEMI S.P.A. (IT) 2003-07-01 US disclosed
US-6297387-B1 AND THEIR USE AS CHIRAL CATALYSTS IN STEREOCONTROLLED REACTIONS, SUCH AS DIASTEREO- AND ENANTIOSELECTIVE REDUCTION REACTIONS, ITALFARMACO SUD S.P.A. (IT) 2001-10-02 US disclosed
US-6133191-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 2000-10-17 US disclosed
US-6077958-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 2000-06-20 US disclosed
EP-0770085-B1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS CHEMI SPA (IT) 1999-09-22 EP disclosed
US-5907045-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 1999-05-25 US disclosed
EP-0770085-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.p.A. (IT) 1997-05-02 EP disclosed
WO-1996001831-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.P.A. (IT) 1996-01-25 WO disclosed