SCHEMBL9518879

SCHEMBL9518879

Cc1cc2c(c(Cc3c[nH]cn3)c1)OCOC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ADRB2 P07550 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
GALR3 O60755 1/20 0.30
NR2F2 P24468 1/20 0.30

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
Hydrochloric Acid SCHEMBL10538266 0.99 RXFP1 (0.34) RXFP1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9518391 0.80 ALDH1A1 (0.38) ALDH1A1KMT2A
SCHEMBL9518287 0.79 RXFP1 (0.34) RXFP1HTTRAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL10539073 0.78 RXFP1 (0.33) RXFP1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4169736 0.71 ALDH1A1 (0.38) RXFP1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9518271 0.70 SLC5A2 (0.39) CYP2D6
SCHEMBL13092269 0.67 ALDH1A1 (0.34) RXFP1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL10405987 0.67 GAA (0.42) HTTALDH1A1TSHRKMT2AKDM4E
SCHEMBL9518244 0.67 SHBG (0.40) SMN1; SMN2ALDH1A1CYP2D6KDM4EHPGD
SCHEMBL11051541 0.66 MPO (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed