SCHEMBL29958362

SCHEMBL29958362

Cc1c(B(O)O)ccc2c1cnn2C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ TRPA1 O75762 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30
▸ CCR4 P51679 1/20 0.30
▸ TP53 P04637 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
SCHEMBL15011334 1.00 CREBBP (0.34) CREBBPBRD4KDRTRPA1TRPV1
SCHEMBL11901773 0.77 CREBBP (0.34) CREBBPKDRTRPV1TP53
SCHEMBL29704434 0.77 CREBBP (0.34) CREBBPKDRTRPV1TP53
SCHEMBL10310477 0.77 TP53 (0.39) CREBBPBRD4KDRCCR4TP53
SCHEMBL29664064 0.76 CCR4 (0.39) CREBBPKDRTRPV1CCR4
SCHEMBL2729661 0.76 CCR4 (0.39) CREBBPKDRTRPV1CCR4
Hydrochloric Acid SCHEMBL29958115 0.75 CCR4 (0.38) CREBBPKDRTRPV1CCR4
SCHEMBL29952533 0.75 KDR (0.35) CREBBPKDR
SCHEMBL15518859 0.74 BRD4 (0.36) CREBBPBRD4KDRCCR4TP53
SCHEMBL19084488 0.74 MAOB (0.37) CREBBPBRD4KDRTRPA1TRPV1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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