SCHEMBL31415453

SCHEMBL31415453

Cn1cnc(-c2cc(N)ccc2C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NR1H2 P55055 1/20 0.36
▸ KIF11 P52732 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NTRK1 P04629 7/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ CBLB Q13191 1/20 0.32
▸ AR P10275 1/20 0.32
▸ AOC3 Q16853 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HIF1A Q16665 1/20 0.31

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
SCHEMBL31512011 0.79 MTOR (0.38) TYK2PIK3CA
SCHEMBL31415394 0.78 PLA2G7 (0.40) TSHRGAAKDM4ENSD2ALDH1A1
SCHEMBL31415449 0.78 PDE3B (0.32) TSHRGLAPOLBGAANTRK1
SCHEMBL31463510 0.78 SCN9A (0.41) TSHRGLAPOLBGAAKDM4E
SCHEMBL31415439 0.77 PLA2G7 (0.39) TSHRKDM4ENSD2ALDH1A1MAPT
SCHEMBL31415385 0.76 KEAP1 (0.49) TSHRGLAPOLBGAANTRK1
SCHEMBL31512055 0.73 PIK3R1 (0.37) CYP1A2TYK2PIK3CA
SCHEMBL31415375 0.73 DRD2 (0.37) KDM4ENSD2ALDH1A1MAPTTYK2
SCHEMBL2808894 0.73 TSHR (0.67) TSHRGLAPOLBGAANR1H2
SCHEMBL31231632 0.72 GAA (0.47) TSHRGLAPOLBGAANR1H2

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-2025054368-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 — — WO disclosed
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