SCHEMBL14263307

SCHEMBL14263307

Cn1c(N(C(=O)OC(C)(C)C)c2cc(C(C)(C)C)on2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 7/20 0.37
PKM P14618 3/20 0.37
LMNA P02545 6/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GNRHR P30968 1/20 0.33

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
SCHEMBL5224395 0.88 KMT2A (0.40) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL14263321 0.85 BRD4 (0.34) NPC1MAPTALDH1A1KDM4EHTT
SCHEMBL4978681 0.81 MAPT (0.41) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4976760 0.81 ALDH1A1 (0.44) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4978503 0.81 KMT2A (0.42) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4978620 0.79 MAPT (0.50) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL14263381 0.77 BRAF (0.36) KDM4E
SCHEMBL5226700 0.77 SLC2A1 (0.33) CYP2D6
SCHEMBL14274184 0.72 BRD4 (0.33)
SCHEMBL5226459 0.72 KMT2A (0.47) KMT2ASMN1; SMN2MEN1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed