SCHEMBL9490652

SCHEMBL9490652

CNC(=S)[C@]1(c2cccnc2)CCCC[C@H]1OC(=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
CYP19A1 P11511 10/20 0.38
NAMPT P43490 1/20 0.38
CYP17A1 P05093 4/20 0.38
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10432053 1.00 MEN1 (0.40) MEN1KMT2AITGA4ITGB7CYP19A1
SCHEMBL9491885 0.91 CYP1A2 (0.39) MEN1KMT2AITGA4ITGB7P2RX7
SCHEMBL9521814 0.91 CYP1A2 (0.39) MEN1KMT2AITGA4ITGB7P2RX7
SCHEMBL9491888 0.91 ITGA4 (0.37) MEN1KMT2AITGA4ITGB7P2RX7
SCHEMBL9490489 0.87 KDM4E (0.43) ITGA4ITGB7P2RX7ALDH1A1
SCHEMBL9520740 0.87 ITGA4 (0.36) KMT2AITGA4ITGB7P2RX7ALDH1A1
SCHEMBL9491001 0.87 GAA (0.37) KMT2AITGA4ITGB7P2RX7ALDH1A1
SCHEMBL9490262 0.87 ITGA4 (0.36) KMT2AITGA4ITGB7P2RX7ALDH1A1
SCHEMBL9491816 0.87 ITGA4 (0.36) KMT2AITGA4ITGB7P2RX7ALDH1A1
SCHEMBL9520580 0.87 GAA (0.37) KMT2AITGA4ITGB7P2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5246950-A Smooth muscle disorders RHONE-POULENC SANTE (FR) 1993-09-21 US disclosed
EP-0390693-B1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-08-25 EP disclosed
EP-0390693-A1 Thioformamide derivatives RHONE-POULENC SANTE (FR) 1990-10-03 EP disclosed