SCHEMBL30955602

SCHEMBL30955602

O=C(Nc1ccnc(Cl)c1)Nc1cc(C(F)F)ns1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 1.00
SMARCA4 P51532 8/20 1.00
MALT1 Q9UDY8 1/20 0.39
MAPT P10636 4/20 0.38
GRM5 P41594 1/20 0.38
S1PR2 O95136 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL22125262 1.00 SMARCA2 (1.00) SMARCA2SMARCA4MALT1MAPTGRM5
SCHEMBL22125459 0.86 SMARCA2 (1.00) SMARCA2SMARCA4MALT1MAPTGRM5
SCHEMBL25908086 0.85 SMARCA2 (0.74) SMARCA2SMARCA4MAPTMEN1KMT2A
SCHEMBL22125249 0.81 SMARCA2 (1.00) SMARCA2SMARCA4MALT1MAPTGRM5
SCHEMBL30955596 0.81 SMARCA2 (1.00) SMARCA2SMARCA4MALT1MAPTGRM5
SCHEMBL22125446 0.81 SMARCA2 (1.00) SMARCA2SMARCA4MALT1HDAC4
SCHEMBL30955623 0.81 SMARCA2 (1.00) SMARCA2SMARCA4MALT1HDAC4
SCHEMBL9599834 0.78 SMARCA2 (0.86) SMARCA2SMARCA4MALT1MAPTS1PR2
SCHEMBL21722961 0.76 SMARCA2 (0.61) SMARCA2SMARCA4MEN1KMT2ARAB9A
SCHEMBL22794203 0.74 SMARCA2 (0.59) SMARCA2SMARCA4

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
CN-118666832-A Urea compounds and compositions as SMARCA2/BRM atpase inhibitors 诺华股份有限公司 2024-09-20 CN disclosed
CN-112585136-B Urea compounds and compositions as SMARCA2/BRM atpase inhibitors 诺华股份有限公司 2024-06-25 CN disclosed