SCHEMBL21301076

SCHEMBL21301076

CNc1nc(-c2ccc(OC)c(C(F)(F)F)c2)c(CN2CCCCC2C)s1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ S1PR1 P21453 5/20 0.42
▸ KMO O15229 1/20 0.38
▸ ACHE P22303 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CRHR1 P34998 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL18724169 0.97 MAPT (0.39) MAPTCRHBPCRHR2SMN1; SMN2S1PR1
SCHEMBL21300929 0.91 S1PR1 (0.36) MAPTCRHBPCRHR2SMN1; SMN2S1PR1
SCHEMBL18724292 0.89 CTSS (0.39) S1PR1CRHR1
SCHEMBL18724210 0.88 MAPK1 (0.42) MAPTCRHBPCRHR2SMN1; SMN2S1PR1
SCHEMBL21006251 0.87 PDE3B (0.40) S1PR1
SCHEMBL21300945 0.87 KMO (0.49) MAPTS1PR1KMOACHECRHR1
SCHEMBL18724370 0.86 ACHE (0.41) MAPTCRHBPCRHR2SMN1; SMN2S1PR1
SCHEMBL21301089 0.85 ACHE (0.42) MAPTS1PR1KMOACHE
SCHEMBL21005922 0.85 MPL (0.43) MAPTACHECRHR1
SCHEMBL18724299 0.84 CRHR1 (0.35) ACHEKMT2ACRHR1

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
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 — — EP disclosed
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