SCHEMBL7355840

SCHEMBL7355840

CCOC(=O)c1cccc2ncn(CCCCCl)c12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
RECQL P46063 1/20 0.44
MAPK10 P53779 1/20 0.44
TSHR P16473 3/20 0.43
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TBXAS1 P24557 1/20 0.40
POLB P06746 1/20 0.39
ADORA2B P29275 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CNR1 P21554 1/20 0.39
TNF P01375 4/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 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
SCHEMBL4982524 0.81 TSHR (0.46) SMN1; SMN2RECQLMAPK10TSHRHSD17B10
SCHEMBL7360918 0.81 CNR1 (0.43) SMN1; SMN2TSHRHSD17B10KDM4ETBXAS1
SCHEMBL7353327 0.76 NPC1 (0.42) SMN1; SMN2RECQLMAPK10TBXAS1POLB
SCHEMBL8267186 0.75 LMNA (0.39) SMN1; SMN2TSHRKDM4EPOLBALDH1A1
SCHEMBL13668154 0.74 LMNA (0.39) SMN1; SMN2TSHRKDM4EPOLBALDH1A1
SCHEMBL3042449 0.74 LMNA (0.43) TSHRHSD17B10KDM4EADORA2BKMT2A
SCHEMBL12894985 0.73 NR4A2 (0.46) TSHRKDM4EALDH1A1KMT2ALMNA
SCHEMBL4974937 0.71 ALDH1A1 (0.54) SMN1; SMN2TSHRHSD17B10KDM4EPOLB
SCHEMBL987310 0.71 NPC1 (0.44) SMN1; SMN2RECQLTSHRHSD17B10KDM4E
SCHEMBL21125120 0.70 TSHR (0.47) SMN1; SMN2MAPK10TSHRHSD17B10TBXAS1

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
WO-1995003298-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS DOPAMINE RECEPTOR ANTAGONIST, 5-HT RECEPTOR AGONIST OR α1 RECEPTOR ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-02 WO disclosed