SCHEMBL26051686

SCHEMBL26051686

Cc1c([C@@H](C)N)ccc(Br)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ PNMT P11086 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ ADRB2 P07550 1/20 0.34
▸ PDCD1LG2 Q9BQ51 3/20 0.33
▸ CD274 Q9NZQ7 3/20 0.33
▸ PDE2A O00408 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
SCHEMBL23113953 0.84 CYP1A2 (0.47) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL17040428 0.81 LMNA (0.38) LMNACYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL30484048 0.79 LMNA (0.36) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL18854482 0.76 PDE2A (0.38) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL23336900 0.76 PDE2A (0.38) LMNACYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL23303738 0.74 PDE2A (0.37) LMNATP53HTTALDH1A1GLA
Hydrochloric Acid SCHEMBL23303736 0.74 PDE2A (0.37) LMNATP53HTTALDH1A1GLA
SCHEMBL26050842 0.74 CYP1A2 (0.46) LMNACYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL17764459 0.72 LMNA (0.66) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL23114100 0.72 HTT (0.41) LMNACYP1A2CYP3A4HTTALDH1A1

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-3793994-B1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2023-08-23 — — EP disclosed
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