SCHEMBL9681300

SCHEMBL9681300

CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1N(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPK1 P28482 1/20 0.61
AR P10275 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 1/20 0.34
CYP2D6 P10635 1/20 0.34
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL9681184 0.86 ALDH1A1 (0.57) ALDH1A1TSHRSMN1; SMN2MAPK1HSD17B10
SCHEMBL9679459 0.86 ALDH1A1 (0.68) ALDH1A1TSHRSMN1; SMN2MAPK1AR
SCHEMBL10891023 0.84 ALDH1A1 (0.65) ALDH1A1TSHRSMN1; SMN2MAPK1AR
SCHEMBL10886582 0.82 SMN1; SMN2 (0.64) ALDH1A1TSHRSMN1; SMN2MAPK1AR
SCHEMBL9680395 0.81 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2MAPK1HSD17B10
SCHEMBL9681204 0.81 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2MAPK1HSD17B10
SCHEMBL10891993 0.81 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2MAPK1HRH3
SCHEMBL9679423 0.80 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2MAPK1HSD17B10
Methane SCHEMBL10891392 0.80 ALDH1A1 (0.60) ALDH1A1TSHRSMN1; SMN2MAPK1AR
SCHEMBL10886735 0.79 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2MAPK1AR

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
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed