SCHEMBL9790616

SCHEMBL9790616

OC1CN=C(c2ccc(Cl)cc2)OC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 7/20 0.40
HPGD P15428 6/20 0.40
KMT2A Q03164 3/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GUSB P08236 1/20 0.36
MAOB P27338 2/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
MMP9 P14780 1/20 0.34
GRIN2B Q13224 1/20 0.34
CTRC Q99895 1/20 0.33

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
SCHEMBL9790532 0.89 ALDH1A1 (0.42) ATMSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL9790549 0.85 HPGD (0.40) ATMSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL9790547 0.85 ALDH1A1 (0.40) ATMSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL9790566 0.85 SMN1; SMN2 (0.46) ATMSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL9790595 0.85 ATM (0.40) ATMSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL9790661 0.85 ALDH1A1 (0.38) ATMSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL9790438 0.83 HPGD (0.39) SMN1; SMN2ALDH1A1HPGDKMT2ACYP1A2
SCHEMBL9790569 0.82 NPC1 (0.51) SMN1; SMN2ALDH1A1HPGDMAPTMAPK1
SCHEMBL9790579 0.82 ALDH1A1 (0.38) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL9790692 0.82 ALDH1A1 (0.38) ATMSMN1; SMN2ALDH1A1HPGDKMT2A

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-4994569-A Cholecystokinin antagonists RHONE-POULENC SANTE (FR) 1991-02-19 US disclosed