SCHEMBL7980272

SCHEMBL7980272

Nc1ccccc1-n1ccnc1Sc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2C9 P11712 5/20 0.37
CYP2C19 P33261 5/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
CYP2D6 P10635 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX15B O15296 3/20 0.35
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 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
SCHEMBL8333220 0.81 L3MBTL1 (0.40) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11478684 0.76 MEN1 (0.40) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7981240 0.76 KMT2A (0.48) KDM4EGAACYP3A4CYP2C9CYP2C19
SCHEMBL6260533 0.74 GAA (0.47) KDM4EGAACYP1A2CYP3A4L3MBTL1
SCHEMBL6258693 0.71 CYP3A4 (0.47) KDM4EGAACYP1A2CYP3A4CYP2C9
SCHEMBL3531433 0.69 GCK (0.52) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5649334 0.69 MEN1 (0.40) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11764095 0.69 GAA (0.41) KDM4EGAAL3MBTL1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5649176 0.68 MEN1 (0.40) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11626476 0.68 KDM4E (0.40) KDM4EGAACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO disclosed