SCHEMBL6009094

SCHEMBL6009094

C[C@H](CC(=O)Nc1ccccc1C(N)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.55
▸ RECQL P46063 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SCN3A Q9NY46 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6009091 1.00 KDM4E (0.55) KDM4ERECQLNPSR1ALDH1A1HPGD
SCHEMBL12767905 0.84 POLB (0.56) KDM4ERECQLALDH1A1HPGDMEN1
SCHEMBL10144059 0.81 MEN1 (0.65) RECQLNPSR1ALDH1A1HPGDMEN1
SCHEMBL14340788 0.80 HCAR2 (0.60) KDM4ERECQLMEN1KMT2ALMNA
SCHEMBL11830170 0.79 HPGD (0.51) ALDH1A1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL6781577 0.77 KMT2A (0.58) KDM4ERECQLHPGDMEN1KMT2A
SCHEMBL18870066 0.76 HPGD (0.55) ALDH1A1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL3358264 0.76 ALDH1A1 (0.62) KDM4ERECQLALDH1A1HPGDMEN1
SCHEMBL28181525 0.76 HPGD (0.58) ALDH1A1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL14349698 0.75 HCAR2 (0.60) KDM4ERECQLMEN1KMT2A

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-1696898-A2 ZN 24 -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 — — EP claimed
WO-2005055928-A2 ZN2+ -CHELATING MOTIF-TETHERED SHORT -CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-06-23 — — WO claimed
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