SCHEMBL29557088

SCHEMBL29557088

O=C(Nc1cc(Br)cc(Br)c1)Nc1ccnc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 5/20 0.45
▸ SMARCA4 P51532 4/20 0.45
▸ MAPK14 Q16539 2/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL29555620 0.84 AR (0.49) SMARCA2SMARCA4MAPK14KMT2AMEN1
SCHEMBL29556405 0.84 RAB9A (0.49) SMARCA2SMARCA4KMT2AMEN1TAAR1
SCHEMBL29555847 0.81 SMARCA2 (0.69) SMARCA2SMARCA4MAPK14KMT2AMEN1
SCHEMBL10344917 0.81 TAAR1 (0.61) SMARCA2SMARCA4KMT2AMEN1TAAR1
SCHEMBL30318910 0.81 TAAR1 (0.61) SMARCA2SMARCA4KMT2AMEN1TAAR1
SCHEMBL22125175 0.79 SMARCA2 (0.71) SMARCA2SMARCA4KMT2AMEN1TAAR1
SCHEMBL23832005 0.79 KCNH2 (0.39) SMARCA2SMARCA4KMT2AMEN1TAAR1
SCHEMBL29556176 0.78 RAB9A (0.65) KMT2AMEN1TAAR1LMNAMAPT
SCHEMBL29556285 0.78 MEN1 (0.52) SMARCA2SMARCA4KMT2AMEN1LMNA
SCHEMBL23832117 0.77 KMT2A (0.44) SMARCA2SMARCA4KMT2AMEN1LMNA

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-2022078533-A1 SUBSTITUTED 1,3-DIPHENYLUREA DERIVATIVES AND 1-PHENYL-3-PYRIDYLUREA DERIVATIVES FOR PLANT BIOTECHNOLOGY, PREPARATIONS CONTAINING THESE COMPOUNDS AND USE THEREOF USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2022-04-21 — — WO disclosed
Send feedback