SCHEMBL9839841

SCHEMBL9839841

CC(Cc1ccccc1)(C(=O)O)N(N)N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLC6A2 P23975 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 3/20 0.41
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SCN1A P35498 1/20 0.41

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
SCHEMBL5031234 0.83 HIF1A (0.50) HIF1ASMN1; SMN2SLC6A2TAAR1CYP3A4
SCHEMBL31212623 0.83 HIF1A (0.50) HIF1ASMN1; SMN2SLC6A2TAAR1CYP3A4
SCHEMBL27945054 0.83 HIF1A (0.50) HIF1ASMN1; SMN2SLC6A2TAAR1CYP3A4
SCHEMBL28140995 0.83 HIF1A (0.50) HIF1ASMN1; SMN2SLC6A2TAAR1CYP3A4
SCHEMBL498294 0.83 HIF1A (0.50) HIF1ASMN1; SMN2SLC6A2TAAR1CYP3A4
SCHEMBL27305322 0.81 HIF1A (0.49) HIF1ASMN1; SMN2SLC6A2TAAR1CYP3A4
SCHEMBL3955413 0.79 HIF1A (0.46) HIF1ASMN1; SMN2SLC6A2TAAR1CYP3A4
SCHEMBL31132445 0.77 HIF1A (0.49) HIF1ASMN1; SMN2SLC6A2TAAR1CYP3A4
SCHEMBL1325186 0.77 SMN1; SMN2 (0.57) HIF1ASMN1; SMN2SLC6A2TAAR1CYP3A4
SCHEMBL1887926 0.76 LMNA (0.44) HIF1ASMN1; SMN2SLC6A2TAAR1CYP3A4

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
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed