SCHEMBL7991701

SCHEMBL7991701

CN(C)C1CCN(c2ccc(-c3nc(C(=O)O)c(-c4ccc(Cl)cc4)[nH]3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.41
MCHR1 Q99705 3/20 0.40
PIK3CA P42336 1/20 0.40
NPY5R Q15761 1/20 0.40
DGAT1 O75907 2/20 0.40
NOTUM Q6P988 1/20 0.39
CHEK2 O96017 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37

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
SCHEMBL7989957 0.89 USP2 (0.48) DGAT1NOTUMCHEK2LMNAMAPT
SCHEMBL7978074 0.87 DGAT1 (0.40) DGAT1NOTUMCHEK2LMNAMAPT
SCHEMBL7995223 0.87 PRKD3 (0.47) MAPT
SCHEMBL7991843 0.85 AURKA (0.45) DGAT1CHEK2LMNAMAPTKMT2A
SCHEMBL7978071 0.84 CHEK2 (0.39) DGAT1NOTUMCHEK2LMNAMAPT
SCHEMBL7978156 0.84 AKR1C3 (0.47) DGAT1CHEK2LMNAMAPTKMT2A
SCHEMBL7988137 0.84 PRKAB2 (0.52) DGAT1CHEK2LMNAMAPTKMT2A
SCHEMBL7989662 0.84 LMNA (0.45) DGAT1CHEK2LMNAMAPTKMT2A
SCHEMBL7977506 0.83 PRKAB2 (0.43) DGAT1KMT2ASMN1; SMN2CDK4CCND1
SCHEMBL7991773 0.83 PARP1 (0.51) PIK3CACHEK2LMNAMAPTKMT2A

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed