SCHEMBL6960683

SCHEMBL6960683

COc1cc(OC)cc(N2CCN(C(=O)Nc3cc(-c4cccnc4)nc4ccccc34)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.53
▸ KIT P10721 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ MAPT P10636 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTT P42858 1/20 0.46

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
SCHEMBL6959104 0.89 TRPV1 (0.52) TRPV1LMNAKDM4EALDH1A1GAA
SCHEMBL6966521 0.85 METAP1 (0.57) TRPV1LMNAKDM4EALDH1A1GAA
SCHEMBL6783151 0.74 RBP4 (0.60) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL6960617 0.74 KMT2A (0.53) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL6956583 0.74 KMT2A (0.53) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL6559685 0.72 MAPT (0.50) TRPV1LMNAALDH1A1GAAKMT2A
SCHEMBL6882152 0.71 ALDH1A1 (0.59) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL5788028 0.71 ALDH1A1 (0.52) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL15452447 0.69 CYP3A4 (0.84) ALDH1A1KMT2AMEN1MAPTCYP2C9
SCHEMBL28206921 0.69 KDM4E (0.92) TRPV1LMNAKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 — — EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 — — US disclosed
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