SCHEMBL8999880

SCHEMBL8999880

Nc1cc(F)cc(Oc2ccc(Oc3cc(N)cc(F)c3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NLRP3 Q96P20 1/20 0.53
ALDH1A1 P00352 5/20 0.50
ST14 Q9Y5Y6 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 5/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
NLRP1 Q9C000 1/20 0.45

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
SCHEMBL22693618 0.96 MEN1 (0.50) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL8999877 0.93 MEN1 (0.43) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL1100004 0.91 MEN1 (0.47) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL25396476 0.90 MAOA (0.59) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL16892153 0.90 TEAD4 (0.59) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL30569458 0.90 MAOA (0.59) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL30334630 0.87 RAB9A (0.43) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL24168667 0.87 RAB9A (0.43) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL21186230 0.86 MEN1 (0.59) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL2806536 0.86 SOS1 (0.50) MEN1KMT2ANPC1RAB9ANLRP3

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-5578697-A DIELECTRIC POLYMERS FOR ELECTRONICS KABUSHIKI KAISHA TOSHIBA (JP) 1996-11-26 US disclosed