SCHEMBL22812334

SCHEMBL22812334

C=C1C=CC=C(F)N1Cc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RGS4 P49798 1/20 0.35
▸ RGS8 P57771 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ THRB P10828 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL13033718 0.71 MGLL (0.59) KMT2ATP53LMNARGS4MAPT
SCHEMBL18570477 0.68 TP53 (0.38) KMT2ACYP19A1CYP11B1CYP11B2TP53
SCHEMBL4800190 0.64 MGLL (0.78) KMT2ATP53LMNARGS4MAPT
SCHEMBL24165285 0.61 TP53 (0.38) KMT2ACYP19A1CYP11B1CYP11B2TP53
SCHEMBL12704514 0.60 TP53 (0.53) KMT2ATP53LMNARGS4MAPT
SCHEMBL14286721 0.59 MGLL (0.75) TP53LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL19002513 0.59 ALDH1A1 (0.66) KMT2ATP53LMNAMAPTGAA
SCHEMBL28635748 0.59 MAPT (0.52) KMT2ATP53LMNARGS4MAPT
SCHEMBL29820192 0.57 CASP3 (0.65) MAPT
SCHEMBL8737445 0.57 CASP3 (0.65) MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3556752-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-05 — — EP disclosed
EP-3567037-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2020-12-23 — — EP disclosed
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