SCHEMBL7087474

SCHEMBL7087474

CN(c1ccc(N/C(=C2\C(=O)Nc3ccc(N)cc32)c2ccccc2)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
LMNA P02545 6/20 0.46
HTT P42858 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.43
SIRT2 Q8IXJ6 4/20 0.42
ALOX12 P18054 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.40
GBA1 P04062 1/20 0.40
ALPL P05186 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
SCHEMBL7087478 1.00 MAPT (0.46) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL7084842 0.91 PDPK1 (0.39) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL7084845 0.91 PDPK1 (0.39) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL7082325 0.89 RET (0.42) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL7082329 0.89 RET (0.42) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL7081305 0.87 PDPK1 (0.42) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7081308 0.87 PDPK1 (0.42) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7091081 0.86 RET (0.38) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL7091082 0.86 RET (0.38) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL7087472 0.85 HTT (0.43) HTTKMT2ASIRT2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 WO disclosed