SCHEMBL9621508

SCHEMBL9621508

CC(C=O)CSc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAOA P21397 3/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 3/20 0.33
▸ GAA P10253 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
SCHEMBL15944392 0.83 HPGD (0.42) KMT2AMEN1MAOAMAOBNPC1
SCHEMBL6200206 0.81 MAOA (0.57) KMT2AMEN1MAOAPTPN1CDC25A
SCHEMBL9621560 0.81 HRH3 (0.40) CYP1A2CYP2C19MAOATSHR
SCHEMBL8260520 0.78 MAOA (0.44) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL9621487 0.77 MTNR1A (0.38) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL9621484 0.77 MTNR1A (0.38) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL23269929 0.75 MAOA (0.41) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL17074468 0.75 MAOA (0.41) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11263363 0.72 SLC6A4 (0.47) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11263029 0.72 SLC6A4 (0.47) KMT2AMEN1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323915-B1 BETA-HYDROXYKETONE AND ITS PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-08 — — EP disclosed
US-5101076-A β-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-31 — — US disclosed
US-5041679-A Beta-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 — — US disclosed
EP-0323915-A1 Beta-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-07-12 — — EP disclosed
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