SCHEMBL6532206

SCHEMBL6532206

CCc1c(-c2ccccc2)c2ccccc2n(N)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ RCE1 Q9Y256 1/20 0.49
▸ GAA P10253 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ MAPK8 P45983 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ DPP4 P27487 1/20 0.38

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
SCHEMBL1082980 0.86 TBXAS1 (0.47) GAAMAPTMAPK14CYP1A2CYP3A4
SCHEMBL1082601 0.80 BRD4 (0.43) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3802744 0.78 KDM4E (0.50) KDM4ERCE1GAAALDH1A1KMT2A
SCHEMBL3807625 0.76 SMN1; SMN2 (0.50) KDM4EGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL1082816 0.76 KDM4E (0.38) KDM4ERCE1GAAALDH1A1SMN1; SMN2
SCHEMBL1082512 0.76 KDM4E (0.38) KDM4ERCE1GAAALDH1A1SMN1; SMN2
SCHEMBL1082160 0.75 KDM4E (0.37) KDM4ERCE1ALDH1A1SMN1; SMN2LMNA
SCHEMBL26169830 0.73 KMT2A (0.42) KDM4ERCE1GAAALDH1A1KMT2A
SCHEMBL17025614 0.73 KMT2A (0.43) KDM4ERCE1GAAALDH1A1KMT2A
SCHEMBL1081505 0.72 KMT2A (0.41) KDM4EGAAALDH1A1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 — — EP disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 — — WO disclosed
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