SCHEMBL7951812

SCHEMBL7951812

CC(C)Oc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 7/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPK1 P28482 1/20 0.46
GRAMD1A Q96CP6 1/20 0.45
ADCY8 P40145 1/20 0.44
ADCY1 Q08828 1/20 0.44
ALPL P05186 1/20 0.44

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
SCHEMBL7953963 0.88 KMT2A (0.56) TP53LMNAMAPTALDH1A1HSD17B10
SCHEMBL7958661 0.87 KDR (0.47) TP53LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7951767 0.85 MAPT (0.47) LMNAMAPTHSD17B10KMT2AALOX15
SCHEMBL7953382 0.85 ROCK2 (0.53) MAPTALDH1A1HSD17B10KMT2AUSP2
SCHEMBL7945185 0.85 RAB9A (0.49) TP53SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL7953966 0.84 TRPV1 (0.51) TP53LMNAMAPTALDH1A1HSD17B10
SCHEMBL6293747 0.84 TP53 (0.61) TP53LMNAMAPTALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL8126991 0.84 RAB9A (0.48) TP53SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL7955681 0.83 MEN1 (0.46) TP53KMT2ASMN1; SMN2KDM4ERAB9A
SCHEMBL7953316 0.83 PDGFRB (0.47) LMNAMAPTKMT2AUSP2SMN1; SMN2

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-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US claimed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed