SCHEMBL10620994

SCHEMBL10620994

c1ccc(CCN2CCc3sccc3C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP2C19 P33261 2/20 0.55
USP2 O75604 1/20 0.55
ABCB11 O95342 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ADRB3 P13945 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
CYP2B6 P20813 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
DRD4 P21917 1/20 0.55
HRH2 P25021 1/20 0.55

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 SCHEMBL11704022 0.98 KDM4E (0.56) SIGMAR1ALDH1A1CYP2C19USP2ABCB11
SCHEMBL11625170 0.88 KDM4E (0.50) SIGMAR1ALDH1A1DRD1DRD4DRD3
SCHEMBL2930573 0.84 ALDH1A1 (0.69) SIGMAR1ALDH1A1CYP2C19USP2ABCB11
SCHEMBL23023074 0.82 DPP7 (0.55) SIGMAR1ALDH1A1CYP2C19USP2ABCB11
SCHEMBL6512477 0.79 HRH3 (0.68) SIGMAR1ALDH1A1DRD3HTR2BKDM4E
SCHEMBL10753513 0.78 ALDH1A1 (0.56) SIGMAR1ALDH1A1CYP2C19USP2ABCB11
SCHEMBL5242066 0.78 ALDH1A1 (0.52) SIGMAR1ALDH1A1CYP2C19USP2ABCB11
SCHEMBL5379151 0.78 ALDH1A1 (0.52) SIGMAR1ALDH1A1CYP2C19USP2ABCB11
SCHEMBL14277821 0.77 ALDH1A1 (0.58) SIGMAR1ALDH1A1CYP2C19USP2ABCB11
Hydrochloric Acid SCHEMBL5369665 0.76 KDM4E (0.57) SIGMAR1ALDH1A1CYP2C19USP2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4749692-A COMBINATION OF SULFINPYRAZONE AND PYRIDINE DERIVATIVE SANOFI, S.A. (FR) 1988-06-07 US disclosed
US-4537894-A ADMINISTERING SULFINPYRAZONE AND PYRIDINE DERIVATIVE SANOFI, S.A. (FR) 1985-08-27 US disclosed
US-4464377-A SYNERGISTIS BETA-ADRENERGIC BLOCKERS AND TICLOPIDINE SANOFI-SYNTHELABO (FR) 1984-08-07 US disclosed