SCHEMBL9756847

SCHEMBL9756847

Cc1ccc(C=CC(=O)Nc2nnn[nH]2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.62
MAPT P10636 13/20 0.62
KDM4E B2RXH2 9/20 0.62
KMT2A Q03164 9/20 0.62
MEN1 O00255 7/20 0.62
HPGD P15428 8/20 0.61
SMN1; SMN2 Q16637 10/20 0.57
RAB9A P51151 8/20 0.57
NPC1 O15118 5/20 0.56
LMNA P02545 4/20 0.56
BLM P54132 3/20 0.56
TP53 P04637 2/20 0.53
PKM P14618 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
ALOX12 P18054 1/20 0.50
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
MCL1 Q07820 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9756980 0.78 NPC1 (0.58) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL9756846 0.74 NPC1 (0.42) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL9756976 0.74 JUN (0.49) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL9756853 0.72 KMT2A (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL9756888 0.70 NAMPT (0.55) MAPTKDM4ERAB9ANPC1
SCHEMBL9756894 0.70 TAS1R3 (0.45) MAPTKDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL9756826 0.70 RAB9A (0.60) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8290472 0.69 MAPT (1.00) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL12892199 0.69 PYGL (0.53) MAPTKMT2AMEN1HPGDRAB9A
SCHEMBL9756834 0.69 EGFR (0.39) ALDH1A1MAPTKDM4EKMT2AMEN1

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
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US claimed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP claimed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed