SCHEMBL9453967

SCHEMBL9453967

CC(=S)C(CCl)c1cnc(Cc2ccccc2Cl)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ BRS3 P32247 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ AR P10275 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
Hydrochloric Acid SCHEMBL8130088 0.70 BRS3 (0.46) LMNAKDM4EMAPTPOLBBRS3
SCHEMBL8114878 0.70 BRS3 (0.51) LMNAKDM4EMAPTPOLBBRS3
SCHEMBL9213182 0.67 CYP19A1 (0.39) LMNAPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL9491397 0.66 LMNA (0.46) LMNAKDM4EMAPTPOLBBRS3
Hydrochloric Acid SCHEMBL8971928 0.66 CYP19A1 (0.38) LMNAPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL7055679 0.65 PIN1 (0.38) LMNAPOLBBRS3SMN1; SMN2PKM
SCHEMBL7993249 0.61 LMNA (0.52) LMNAKDM4EMAPTSMN1; SMN2MEN1
SCHEMBL4018722 0.60 TAAR1 (0.67) LMNAKDM4EMAPTKMT2ATAAR1
SCHEMBL16020970 0.60 MPO (0.40) LMNAKDM4EMAPTSMN1; SMN2TAAR1
SCHEMBL29519238 0.59 IDO1 (0.62) LMNAPKMDAOTAAR1

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
US-5248689-A Hypotensive agents, congestive heart failure, renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-09-28 — — US disclosed
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