SCHEMBL23486602

SCHEMBL23486602

CNCc1ccc(-c2csc(N(C)C)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.54
MAPT P10636 3/20 0.54
PRMT6 Q96LA8 1/20 0.46
ADRB2 P07550 1/20 0.45
LTA4H P09960 6/20 0.43
NPC1 O15118 8/20 0.43
PTGS2 P35354 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP13 P45452 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL23486303 0.85 RAB9A (0.51) RAB9AMAPTLTA4HNPC1PTGS2
SCHEMBL23460184 0.83 RAB9A (0.49) RAB9AMAPTLTA4HNPC1PTGS2
Hydrochloric Acid SCHEMBL23460152 0.82 RAB9A (0.48) RAB9AMAPTLTA4HNPC1PTGS2
SCHEMBL23486301 0.80 RAB9A (0.46) RAB9AMAPTLTA4HNPC1KMT2A
SCHEMBL3440378 0.80 PRMT6 (0.68) RAB9AMAPTPRMT6ADRB2LTA4H
SCHEMBL22594687 0.77 RAB9A (0.62) RAB9AMAPTLTA4HNPC1PTGS2
SCHEMBL16083113 0.76 RAB9A (0.60) RAB9AMAPTNPC1PTGS2KMT2A
SCHEMBL12070478 0.76 RAB9A (0.60) RAB9AMAPTLTA4HNPC1PTGS2
SCHEMBL7476639 0.76 RAB9A (0.60) RAB9AMAPTLTA4HNPC1PTGS2
SCHEMBL1009194 0.76 RAB9A (0.68) RAB9AMAPTLTA4HNPC1PTGS2

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-2021113263-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-10 WO disclosed