SCHEMBL7816692

SCHEMBL7816692

C=CCC(=O)Nc1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.66
▸ TGM2 P21980 1/20 0.59
▸ MAPT P10636 2/20 0.57
▸ HDAC3 O15379 2/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ HDAC10 Q969S8 2/20 0.53
▸ HDAC11 Q96DB2 2/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL7890748 0.83 CYP1A1 (0.55) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL13679387 0.82 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL28997137 0.82 POLB (0.62) POLBTGM2MAPTHDAC3HDAC1
SCHEMBL9113346 0.81 MAOB (0.45) POLBTGM2MAPTALDH1A1MEN1
SCHEMBL12803387 0.81 ALDH1A1 (0.53) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL28444124 0.81 TGM2 (0.59) POLBTGM2MAPTHDAC3HDAC1
SCHEMBL2576588 0.81 MAOB (0.61) TGM2MAPTHDAC3HDAC1HDAC2
SCHEMBL3831442 0.81 L3MBTL1 (0.63) TGM2MAPTHDAC3HDAC1HDAC2
SCHEMBL23081898 0.80 MAOB (0.44) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL28954825 0.80 TRPV1 (0.46) POLBMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106431868-A Method for synthesizing 4-bromoacetophenone being aminomethylbenzoic acid drug intermediate 厦门莱恩斯特信息科技有限公司 2017-02-22 — — CN claimed
CN-106431903-A Synthesis method for 1,2,4-triacetoxybenzene serving as Catalin medical intermediate 厦门莱恩斯特信息科技有限公司 2017-02-22 — — CN claimed
CN-106431903-A Synthesis method for 1,2,4-triacetoxybenzene serving as Catalin medical intermediate 厦门莱恩斯特信息科技有限公司 2017-02-22 — — CN disclosed
CN-105483749-A Method for electro-synthesizing 3-amido-2-thio-cyano-alpha, beta-unsaturated carbonyl compound in pairs UNIV BEIJING TECHNOLOGY 2016-04-13 — — CN disclosed
EP-1124810-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 — — EP disclosed
WO-2000026202-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 — — WO disclosed
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