SCHEMBL24273334

SCHEMBL24273334

Cc1ccc(Cn2cc(C(=O)NCc3ccncc3)c3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.59
▸ CNR2 P34972 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ KLKB1 P03952 1/20 0.56
▸ TUBB4A P04350 1/20 0.54
▸ TUBB P07437 1/20 0.54
▸ TUBA3C P0DPH7 1/20 0.54
▸ TUBA1B P68363 1/20 0.54
▸ TUBA4A P68366 1/20 0.54
▸ TUBB4B P68371 1/20 0.54
▸ TUBB3 Q13509 1/20 0.54
▸ TUBB2A Q13885 1/20 0.54
▸ TUBB8 Q3ZCM7 1/20 0.54
▸ TUBA3E Q6PEY2 1/20 0.54
▸ TUBA1A Q71U36 1/20 0.54
▸ TUBA1C Q9BQE3 1/20 0.54
▸ TUBB6 Q9BUF5 1/20 0.54
▸ TUBB2B Q9BVA1 1/20 0.54
▸ TUBB1 Q9H4B7 1/20 0.54
▸ F10 P00742 4/20 0.54

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
SCHEMBL24273338 0.90 CNR2 (0.56) CNR1CNR2KLKB1TUBB4ATUBB
SCHEMBL24273335 0.86 HPGD (0.55) LMNAKLKB1F10NPC1RAB9A
SCHEMBL24273550 0.81 CNR2 (0.56) CNR1CNR2LMNAKLKB1MAPK1
SCHEMBL24273556 0.81 TUBB4A (0.63) CNR1CNR2LMNATUBB4ATUBB
SCHEMBL15908288 0.81 TUBB4A (0.82) CNR1CNR2LMNATUBB4ATUBB
SCHEMBL24273345 0.80 SLC22A12 (0.52) CNR1CNR2LMNAKLKB1NPC1
SCHEMBL24273190 0.79 POLB (0.54) CNR2LMNATUBB4ATUBBTUBA3C
SCHEMBL24273081 0.79 HDAC1 (0.48) CNR1CNR2LMNAKLKB1MAPK1
SCHEMBL31693410 0.78 TP53 (0.67) CNR1CNR2LMNAMAPK1TP53
SCHEMBL24273316 0.78 KLKB1 (0.50) LMNAKLKB1F10NPC1RAB9A

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-2022061008-A2 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-03-24 — — WO disclosed
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