SCHEMBL13870495

SCHEMBL13870495

O=C(O)c1ccc(Cl)cc1CBr

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 2/20 0.57
CASP1 P29466 1/20 0.57
ALDH1A1 P00352 6/20 0.52
TP53 P04637 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
DCLRE1B Q9H816 1/20 0.47
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
GAA P10253 1/20 0.45
MYC P01106 1/20 0.45
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3927953 0.85 ALDH1A1 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL11382675 0.85 ALDH1A1 (0.43) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL8482266 0.82 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL1548854 0.82 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL8482265 0.82 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1TP53
Ethane SCHEMBL7194508 0.81 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL8574539 0.81 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL1022607 0.81 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL15543861 0.80 SMN1; SMN2 (0.52) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL28180523 0.80 KDM4E (0.48) TSHRALDH1A1TP53CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023138684-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO , INC. (US) 2023-07-27 WO disclosed
CN-115793391-A Photoresist and application thereof 北京科华微电子材料有限公司 2023-03-14 CN disclosed
WO-2020063999-A1 MONO HALOGEN OR METHYL-SUBSTITUTED 5-HT2B ANTAGONISTS WITH INCREASED ACTIVITY NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-04-02 WO disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed