SCHEMBL23486303

SCHEMBL23486303

CCNCc1ccc(-c2csc(N(C)C)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.51
MAPT P10636 5/20 0.51
NPC1 O15118 10/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
PTGS2 P35354 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 3/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL23460184 0.89 RAB9A (0.49) RAB9AMAPTNPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL23460152 0.88 RAB9A (0.48) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL23486602 0.85 RAB9A (0.54) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL23486301 0.83 RAB9A (0.46) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL22594687 0.75 RAB9A (0.62) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL7476639 0.73 RAB9A (0.60) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL16083113 0.73 RAB9A (0.60) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL1009194 0.73 RAB9A (0.68) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL12070478 0.73 RAB9A (0.60) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL9481963 0.73 RAB9A (0.62) RAB9AMAPTNPC1KMT2AMEN1

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