SCHEMBL29556405

SCHEMBL29556405

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ TAAR1 Q96RJ0 2/20 0.49
▸ POLB P06746 1/20 0.48
▸ SMARCA2 P51531 4/20 0.47
▸ SMARCA4 P51532 3/20 0.47
▸ KDR P35968 2/20 0.46
▸ PDGFRA P16234 1/20 0.45
▸ GRM5 P41594 1/20 0.44

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
SCHEMBL29556285 0.90 MEN1 (0.52) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL29556176 0.87 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL29556948 0.84 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL29557088 0.84 SMARCA2 (0.45) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL10719644 0.84 SMARCA2 (0.69) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL30318910 0.83 TAAR1 (0.61) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL10344917 0.83 TAAR1 (0.61) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL22125175 0.82 SMARCA2 (0.71) LMNAKMT2AMEN1TAAR1SMARCA2
SCHEMBL29556275 0.80 S1PR2 (0.48) RAB9ANPC1SMN1; SMN2LMNACYP1A2
SCHEMBL27193043 0.80 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53LMNA

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
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