SCHEMBL11208607

SCHEMBL11208607

Cc1ccc(C=Cc2nc[nH]c2C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.41
IP6K1 Q92551 4/20 0.37
IP6K3 Q96PC2 2/20 0.37
IP6K2 Q9UHH9 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
MMP9 P14780 1/20 0.34
ALOX5 P09917 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC1 Q13547 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL11210833 0.77 TAAR1 (0.55) IP6K1IP6K3IP6K2POLBMAPT
SCHEMBL11210835 0.77 TAAR1 (0.55) IP6K1IP6K3IP6K2POLBMAPT
SCHEMBL11208575 0.75 ALOX5 (0.45) POLBMAPTTDP1ALOX5SMN1; SMN2
SCHEMBL10974637 0.75 TUBB1 (0.61) TUBB1POLBMAPTTDP1ALOX5
SCHEMBL10974635 0.75 TUBB1 (0.61) TUBB1POLBMAPTTDP1ALOX5
SCHEMBL11210047 0.72 PARP1 (0.41) POLBMAPTTDP1TAAR1ALOX5
SCHEMBL11289761 0.70 NPC1 (0.45) TUBB1POLBMAPTTDP1TAAR1
SCHEMBL11289759 0.70 NPC1 (0.45) TUBB1POLBMAPTTDP1TAAR1
SCHEMBL11209825 0.69 PARP1 (0.38) POLBMAPTTDP1TAAR1ALOX5
SCHEMBL11205980 0.67 NPC1 (0.46) POLBMAPTTDP1ALOX5SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034474-B1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Farmos-Yhtyma Oy (FI) 1983-01-26 EP disclosed
US-4333947-A HYPOTENSIVE AGENTS, BACTERICIDES, FUNGICIDES FARMOS-YHTYMA OY (FI) 1982-06-08 US disclosed
EP-0034474-A1 Substituted imidazoles, their preparation and pharmaceutical compositions containing the same Farmos-Yhtyma Oy (FI) 1981-08-26 EP disclosed