SCHEMBL7979540

SCHEMBL7979540

Cc1nc2c(c(-c3cccc(Cl)c3Cl)c1C(=O)O)C(C)OC2=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
PTPN11 Q06124 15/20 0.38
FABP3 P05413 2/20 0.37
FABP4 P15090 2/20 0.37
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8439147 0.79 FABP3 (0.48) KMT2APTPN11FABP3FABP4DHODH
SCHEMBL18680220 0.76 KMT2A (0.47) KMT2APTPN11FABP3FABP4DHODH
SCHEMBL30587182 0.72 SMN1; SMN2 (0.49) KMT2APTPN11FABP3FABP4ALDH1A1
SCHEMBL6951228 0.72 SMN1; SMN2 (0.49) KMT2APTPN11FABP3FABP4ALDH1A1
SCHEMBL7967357 0.70 PTPN11 (0.38) PTPN11
SCHEMBL28402122 0.67 LMNA (0.50) KMT2AFABP3FABP4ALDH1A1MAPT
SCHEMBL10913994 0.67 KMT2A (0.43) KMT2AFABP3FABP4DHODHALDH1A1
SCHEMBL7979537 0.65 POLB (0.44) KMT2APTPN11ALDH1A1MAPT
SCHEMBL7977551 0.65 DHODH (0.37) KMT2APTPN11FABP3FABP4DHODH
SCHEMBL29771130 0.63 KMO (0.44) PTPN11

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-6194428-B1 BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 US claimed