SCHEMBL9498587

SCHEMBL9498587

O=C(O)C1=CC=CN(Nc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBS P35520 1/20 0.41
EPHX1 P07099 2/20 0.41
EPHX2 P34913 2/20 0.41
TSHR P16473 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
SLC2A1 P11166 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL9494438 0.88 EPHX1 (0.40) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL9494589 0.83 NPC1 (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL9495344 0.80 TP53 (0.33) EPHX1EPHX2TSHRMEN1KMT2A
SCHEMBL9496601 0.75 TSHR (0.49) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL9495354 0.74 HTT (0.44) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL9497253 0.74 MAPT (0.46) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL9499116 0.73 MAPT (0.32) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5254243 0.69 MAPT (0.33) EPHX1EPHX2TSHRNPC1RAB9A
SCHEMBL9498592 0.68 NPC1 (0.41) CBSEPHX1EPHX2TSHRMEN1
SCHEMBL5010680 0.67 TSHR (0.33) TSHRKMT2A

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-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed