SCHEMBL7530197

SCHEMBL7530197

NC(=O)Cc1cccn1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.55
PLA2G2A P14555 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
BRD4 O60885 2/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NOTUM Q6P988 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL12951910 0.86 AKR1B1 (0.50) ADRA1DALDH1A1KDM4EHDAC8HDAC6
SCHEMBL27545918 0.83 HDAC8 (0.50) ADRA1DALDH1A1KDM4EHDAC8HDAC6
SCHEMBL14817322 0.77 KDM4E (0.71) ADRA1DALDH1A1KDM4EHDAC8HDAC6
SCHEMBL1244069 0.77 HDAC8 (0.53) ADRA1DALDH1A1KDM4EHDAC8HDAC6
SCHEMBL9267101 0.76 CYP11B1 (0.58) PLA2G2AALDH1A1
SCHEMBL27700003 0.74 ALDH1A1 (0.50) ADRA1DALDH1A1KDM4EHDAC8HDAC6
SCHEMBL27944822 0.74 ALDH1A1 (0.50) ADRA1DALDH1A1KDM4EHDAC8HDAC6
SCHEMBL11241235 0.73 NPC1 (0.41) ALDH1A1KDM4EPOLBLMNAMAPT
SCHEMBL3195611 0.73 HDAC8 (0.49) ADRA1DALDH1A1KDM4EHDAC8HDAC6
SCHEMBL8217059 0.73 HDAC8 (0.49) ADRA1DALDH1A1KDM4EHDAC8HDAC6

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-0400440-B1 Amino acid derivative anticonvulsant RES CORP TECHNOLOGIES INC (US) 2002-03-13 EP disclosed
EP-0263506-B1 ANTICONVULSANT COMPOSITION CONTAINING AMINO ACID DERIVATIVE AND USE OF SAID AMINO ACID DERIVATIVE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-08-04 EP disclosed
EP-0400440-A1 Amino acid derivative anticonvulsant RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1990-12-05 EP disclosed
EP-0263506-A2 Anticonvulsant composition containing amino acid derivative and use of said amino acid derivative RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1988-04-13 EP disclosed