SCHEMBL9219403

SCHEMBL9219403

Oc1ncnc2c(-c3ccc(CSc4ccccc4)cc3)cnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.39
RAB9A P51151 8/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
HPGD P15428 6/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 4/20 0.39
PKM P14618 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL8992955 0.84 NPC1 (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9170597 0.84 RAB9A (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9171743 0.82 AR (0.39) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9172768 0.82 RAB9A (0.55) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9215696 0.81 RAB9A (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9214077 0.80 RAB9A (0.37) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9222033 0.78 RAB9A (0.34) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9222652 0.77 GSTP1 (0.47) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL8993290 0.76 GPR119 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9215756 0.76 SRC (0.45) NPC1RAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269859-B2 Pyrazolotriazine compounds OTSUKA PHARMA CO LTD (JP) 1995-10-18 EP disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed