SCHEMBL9857290

SCHEMBL9857290

Cc1ccc(-c2cn(C)c(OC(=O)O)c2N2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 7/20 0.42
HPGD P15428 4/20 0.42
USP2 O75604 1/20 0.42
FKBP1A P62942 1/20 0.42
CHRNA7 P36544 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AKR1C3 P42330 1/20 0.39
CYP2D6 P10635 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
SCHEMBL9857777 0.90 ALDH1A1 (0.47) POLBALDH1A1HPGDUSP2CHRNA7
SCHEMBL8922352 0.81 ALDH1A1 (0.41) ALDH1A1HPGDUSP2FKBP1ACHRNA7
SCHEMBL9857292 0.72 ALDH1A1 (0.44) POLBALDH1A1HPGDCYP2C19CYP1A2
SCHEMBL8922256 0.71 HSD17B10 (0.49) ALDH1A1HPGDUSP2CHRNA7CYP2C9
SCHEMBL8920356 0.71 AKR1C3 (0.40) POLBALDH1A1HPGDALOX15HSD17B10
SCHEMBL8923602 0.71 PIK3CA (0.42) ALDH1A1RAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL9857773 0.70 ALDH1A1 (0.52) POLBALDH1A1HPGDUSP2FKBP1A
SCHEMBL8923375 0.69 ALDH1A1 (0.63) ALDH1A1HPGDUSP2FKBP1ACHRNA7
SCHEMBL8923442 0.65 ALDH1A1 (0.83) ALDH1A1HPGDUSP2FKBP1AALOX15
SCHEMBL9858064 0.65 ALDH1A1 (0.57) POLBALDH1A1HPGDUSP2ALOX15

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
EP-0431371-A1 3-Aminopyrroles, process for this preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-06-12 EP claimed