SCHEMBL21777490

SCHEMBL21777490

COC(=O)C(NCc1ccc(Cl)cc1)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
GLA P06280 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL10572282 0.88 KMT2A (0.70) MEN1KMT2ATDP1CYP1A2CYP2D6
SCHEMBL21777362 0.86 MEN1 (0.58) MEN1KMT2ATDP1CYP1A2CYP2D6
SCHEMBL21788884 0.81 MEN1 (0.53) MEN1KMT2ATDP1CYP2D6CYP2C19
SCHEMBL25870931 0.80 MEN1 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1695916 0.77 KMT2A (0.85) MEN1KMT2ACYP2D6CYP2C19ALDH1A1
SCHEMBL31173505 0.77 KMT2A (0.85) MEN1KMT2ACYP2D6CYP2C19ALDH1A1
SCHEMBL6386453 0.75 KMT2A (0.72) MEN1KMT2A
SCHEMBL16839854 0.75 KMT2A (0.72) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8231068 0.74 CYP2C19 (0.50) MEN1KMT2ATDP1CYP1A2CYP2D6
SCHEMBL15383227 0.74 CYP2C19 (0.50) MEN1KMT2ATDP1CYP1A2CYP2D6

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-3843842-A1 CARDIAC SARCOMERE INHIBITORS Cytokinetics, Inc. (US) 2021-07-07 EP disclosed
WO-2020047447-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2020-03-05 WO disclosed