SCHEMBL7919787

SCHEMBL7919787

CC(=O)N(C(C)=O)c1cccc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.44
CYP3A4 P08684 2/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
PBRM1 Q86U86 1/20 0.41
DDX3X O00571 1/20 0.41
NOS1 P29475 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL10398568 0.85 CRHBP (0.65) CRHBPCRHR2ALDH1A1GAACYP3A4
SCHEMBL6560324 0.82 ALDH1A1 (0.46) CRHBPCRHR2ALDH1A1CYP3A4CASP1
SCHEMBL2020210 0.82 SIGMAR1 (0.47) ALDH1A1CYP3A4CASP1RECQLPBRM1
SCHEMBL10946709 0.82 ALDH1A1 (0.42) CRHBPCRHR2ALDH1A1CYP3A4CASP1
SCHEMBL15640887 0.78 SIGMAR1 (0.47) CRHBPCRHR2ALDH1A1CYP3A4CASP1
SCHEMBL27784974 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4CASP1RECQLPBRM1
SCHEMBL9514177 0.78 ALDH1A1 (0.46) ALDH1A1CYP3A4PBRM1DDX3XTSHR
SCHEMBL8374423 0.78 ALDH1A1 (0.57) CRHBPCRHR2ALDH1A1GAACYP3A4
SCHEMBL9998812 0.78 CRHBP (0.53) CRHBPCRHR2ALDH1A1GAALMNA
SCHEMBL9834822 0.77 PARP1 (0.53) CRHBPCRHR2GAACYP3A4RECQL

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160179-A Method of producing 4-nitro-m-phenylenediamine sulfate GIANNOTTI JAMES (US) 2000-12-12 US claimed
CN-116284641-A Surface chemical modification method of aromatic primary diamine particles for polyurethane elastomer material and application thereof 苏州湘园新材料股份有限公司 2023-06-23 CN disclosed
US-6228547-B1 CHARGE TRANSFER COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-05-08 US disclosed
EP-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 US disclosed