SCHEMBL9518287

SCHEMBL9518287

c1cc2c(c(Cc3c[nH]cn3)c1)OCOC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 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 SCHEMBL10539073 0.99 RXFP1 (0.33) RXFP1HTTRAB9ASMN1; SMN2USP2
SCHEMBL2101659 0.82 KCNH2 (0.39)
SCHEMBL9518879 0.79 RXFP1 (0.35) RXFP1HTTRAB9ASMN1; SMN2USP2
Hydrochloric Acid SCHEMBL10538266 0.78 RXFP1 (0.34) RXFP1HTTRAB9ASMN1; SMN2USP2
SCHEMBL9518430 0.78 ALDH1A1 (0.39) ALDH1A1KMT2AMAPK1
SCHEMBL9518271 0.72 SLC5A2 (0.39)
SCHEMBL9518260 0.71
SCHEMBL34464549 0.70 GRM5 (0.34) RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12824889 0.70 ALDH1A1 (0.39) RXFP1HTTRAB9ASMN1; SMN2USP2
SCHEMBL34464514 0.69 ADRA2A (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP claimed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US claimed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP claimed
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed