SCHEMBL11558189

SCHEMBL11558189

Cc1coc(Cc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
P2RX7 Q99572 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 3/20 0.42
RAB9A P51151 1/20 0.42
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGER1 P34995 1/20 0.39

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
SCHEMBL11560328 0.81 SMN1; SMN2 (0.42) SMN1; SMN2HPGDMAPTALDH1A1GAA
SCHEMBL11558024 0.77 KMT2A (0.45) SMN1; SMN2LMNARAB9AKDM4EMAPT
SCHEMBL2656435 0.76 HTT (0.51) SMN1; SMN2HTTP2RX7NPSR1HPGD
SCHEMBL11563998 0.75 TAAR1 (0.42) HPGDKDM4EMAPTPTGER1
SCHEMBL2097653 0.71 IDO1 (0.65) SMN1; SMN2HTTHPGDLMNARAB9A
SCHEMBL21548891 0.70 SMN1; SMN2 (0.73) SMN1; SMN2HTTP2RX7LMNARAB9A
SCHEMBL11564945 0.69 ALDH1A1 (0.44) LMNARAB9AALDH1A1
SCHEMBL2656600 0.69 SMN1; SMN2 (0.50) SMN1; SMN2HTTP2RX7LMNARAB9A
SCHEMBL27960158 0.68 HTT (0.49) SMN1; SMN2HTTNPSR1HPGDLMNA
SCHEMBL15497186 0.67 LMNA (0.67) SMN1; SMN2HTTP2RX7LMNARAB9A

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-4168379-A Pyridin-3-ols BASF AKTIENGESELLSCHAFT (DE) 1979-09-18 US disclosed