SCHEMBL11047103

SCHEMBL11047103

O=C(Nc1ccc(Cl)cc1)Nc1ccnc(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 8/20 0.79
SMARCA4 P51532 7/20 0.79
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
CNR1 P21554 4/20 0.65
NPC1 O15118 3/20 0.60
LMNA P02545 3/20 0.60
HTT P42858 3/20 0.60
EPHX1 P07099 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CHRM1 P11229 1/20 0.60
SLC6A2 P23975 1/20 0.60
PDE4A P27815 1/20 0.60
EPHX2 P34913 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRM1 P35372 1/20 0.60
PDE3A Q14432 1/20 0.60
NLRP3 Q96P20 1/20 0.60
KDR P35968 1/20 0.57
RAB9A P51151 2/20 0.56

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
SCHEMBL9599834 0.91 SMARCA2 (0.86) SMARCA2SMARCA4MEN1KMT2ACNR1
SCHEMBL22125200 0.88 SMARCA2 (1.00) SMARCA2SMARCA4MEN1KMT2ALMNA
SCHEMBL22125204 0.87 SMARCA2 (0.74) SMARCA2SMARCA4MEN1KMT2ACNR1
SCHEMBL11046021 0.87 SMARCA2 (0.75) SMARCA2SMARCA4MEN1KMT2ACNR1
SCHEMBL119685 0.87 SMARCA2 (0.79) SMARCA2SMARCA4MEN1KMT2ACNR1
SCHEMBL27968802 0.86 SMARCA2 (0.72) SMARCA2SMARCA4MEN1KMT2ACNR1
SCHEMBL22125125 0.85 SMARCA2 (0.71) SMARCA2SMARCA4MEN1KMT2ANPC1
SCHEMBL22125520 0.85 SMARCA2 (0.76) SMARCA2SMARCA4MEN1KMT2ACNR1
SCHEMBL22125235 0.84 MEN1 (0.74) SMARCA2SMARCA4MEN1KMT2ANPC1
SCHEMBL9410880 0.84 MEN1 (0.72) SMARCA2SMARCA4MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020126968-A2 UREA DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO claimed
WO-2020126968-A2 UREA DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
WO-2020126968-A2 UREA DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
US-RE31550-E N-(2-Chloro-4-pyridyl) ureas Shudo, Koichi (JP) 1984-04-10 US disclosed
US-4193788-A N-(2-Chloro-4-pyridyl)ureas ISOGAI YO (JP) 1980-03-18 US disclosed