SCHEMBL9681607

SCHEMBL9681607

CSc1ccc(C(=O)C(C)(C)N2CCN(C)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
TSHR P16473 1/20 0.71
MAPK1 P28482 1/20 0.71
HPGD P15428 4/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
PLK1 P53350 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC18A3 Q16572 1/20 0.40
POLB P06746 3/20 0.38
F10 P00742 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL20204952 0.94 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL9679674 0.87 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL725932 0.86 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL725901 0.86 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL9680410 0.84 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL10941271 0.83 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL2704635 0.83 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL10890719 0.83 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL27554 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL14246539 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD

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-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
US-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed