SCHEMBL9954182

SCHEMBL9954182

O=C(Nc1ccncc1)Nc1ccc(Br)cn1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.71
NPC1 O15118 6/20 0.71
MAPT P10636 3/20 0.63
LMNA P02545 2/20 0.60
MDM2 Q00987 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 4/20 0.54
TAAR1 Q96RJ0 2/20 0.53
MEN1 O00255 3/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL9954640 0.86 RAB9A (0.73) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL9954835 0.84 TSHR (0.68) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL31241075 0.83 RAB9A (0.74) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL31241072 0.80 RAB9A (1.00) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL16528767 0.77 SMN1; SMN2 (0.53) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL10020286 0.77 MDM2 (1.00) RAB9AMAPTLMNAMDM2SMN1; SMN2
SCHEMBL16166784 0.77 RAB9A (0.61) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL9027737 0.77 RAB9A (0.60) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL10289060 0.76 RAB9A (0.56) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL16879078 0.76 MEN1 (0.72) RAB9ANPC1LMNASMN1; SMN2KMT2A

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
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed