SCHEMBL9853392

SCHEMBL9853392

CCCCc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPSR1 Q6W5P4 3/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 10/20 0.50
BRD4 O60885 2/20 0.49
BRD2 P25440 2/20 0.49
BRD3 Q15059 2/20 0.49
BRDT Q58F21 2/20 0.49
RXFP1 Q9HBX9 2/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4A O75164 1/20 0.47

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
SCHEMBL7320101 0.93 MEN1 (0.52) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL8914154 0.89 MEN1 (0.57) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL9853394 0.81 ADORA2B (0.45) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL19066314 0.80 MEN1 (0.65) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL9298051 0.79 ALDH1A1 (0.47) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL19066322 0.78 RXFP1 (0.59) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL19090458 0.76 ALDH1A1 (0.55) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL23255226 0.75 TSHR (0.56) MEN1KMT2ANPSR1ALDH1A1BRD4
SCHEMBL7326739 0.75 MEN1 (0.77) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL3223903 0.74 PDE4A (0.55) MEN1KMT2ANPSR1ALDH1A1BRD4

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
US-4965271-A Method of inhibiting the activity of leukocyte derived cytokines HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1990-10-23 US claimed
EP-0421587-A2 Xanthine derivatives used in asthma Beecham Group p.l.c. (GB) 1991-04-10 EP disclosed