SCHEMBL26382537

SCHEMBL26382537

Cc1c(F)cc(-c2cc(C(F)(F)F)c(F)cc2C(C)C)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 10/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ GPR3 P46089 1/20 0.30
▸ NOTUM Q6P988 1/20 0.30

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
SCHEMBL26383562 0.89 KIF11 (0.35) KIF11RPS6KA3CYP11B1CYP11B2TRPA1
SCHEMBL26383665 0.84 AKR1C3 (0.37) KIF11RPS6KA3TRPA1PDE2AHTR2A
SCHEMBL26382535 0.83 AKR1C3 (0.33) CYP11B1CYP11B2TRPA1
SCHEMBL26383561 0.82 KIF11 (0.40) KIF11RPS6KA3HTR2AHTR2CHTR2B
SCHEMBL26382545 0.82 NOTUM (0.35) CYP11B1CYP11B2PDE2ANOTUM
SCHEMBL26382544 0.79 TRPA1 (0.32) TRPA1PDE2AHTR2AHTR2CHTR2B
SCHEMBL26383664 0.77 TRPA1 (0.33) TRPA1PDE2AHTR2AHTR2CHTR2B
SCHEMBL26382525 0.76 PDE2A (0.47) RPS6KA3PDE2A
SCHEMBL13676942 0.75 PDE2A (0.39) KIF11TRPA1PDE2AHTR2AHTR2C
SCHEMBL26382555 0.73 CYP11B1 (0.35) CYP11B1CYP11B2HTR2AHTR2CHTR2B

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-20230320121-A1 ORGANIC ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-10-05 — — US disclosed
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