SCHEMBL5810033

SCHEMBL5810033

C=CCn1c(C)c(C)c2ccnc(C(O)Cc3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.37
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
APOBEC3G Q9HC16 2/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
USP2 O75604 2/20 0.33
TNNI3 P19429 1/20 0.33
TNNT2 P45379 1/20 0.33
TNNC1 P63316 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL1736278 0.80 KDM4E (0.32) KMT2AHTTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1736437 0.80 KDM4E (0.32) KMT2AHTTCYP1A2CYP3A4CYP2D6
SCHEMBL1739433 0.80 L3MBTL1 (0.40) FABP4MEN1KMT2AAPOBEC3GCYP1A2
SCHEMBL1738218 0.79 KDM4E (0.36) FABP4MEN1KMT2AAPOBEC3GHTT
Hydrochloric Acid SCHEMBL1737971 0.79 L3MBTL1 (0.39) FABP4MEN1KMT2AAPOBEC3GCYP1A2
Hydrochloric Acid SCHEMBL1738701 0.78 KDM4E (0.38) FABP4MEN1KMT2AAPOBEC3GHTT
SCHEMBL5810304 0.78 APOBEC3G (0.44) FABP4APOBEC3GCYP1A2CYP3A4CYP2D6
SCHEMBL3843518 0.77 CYP1A2 (0.47) MEN1KMT2AHTTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5811690 0.77 APOBEC3G (0.44) FABP4APOBEC3GCYP1A2CYP3A4CYP2D6
SCHEMBL1738045 0.77 L3MBTL1 (0.40) HTTCYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed