SCHEMBL27335243

SCHEMBL27335243

O=C(O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
PTGER4 P35408 1/20 0.43
SCN9A Q15858 1/20 0.42
SRD5A2 P31213 1/20 0.42
LMNA P02545 2/20 0.41
GRM4 Q14833 1/20 0.41
LIPE Q05469 1/20 0.41
MAP4K4 O95819 1/20 0.41
THRB P10828 1/20 0.41
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
FFAR1 O14842 1/20 0.40
NR4A2 P43354 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
SCHEMBL30773357 0.86 LMNA (0.56) SMN1; SMN2LMNALIPEKDR
SCHEMBL27335162 0.86 LMNA (0.56) SMN1; SMN2LMNALIPEKDR
SCHEMBL14662134 0.86 PTGER4 (0.51) MRGPRX4PTGER4THRBNR4A2
SCHEMBL21628645 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MRGPRX4PTGER4SCN9ASRD5A2
SCHEMBL21191142 0.82 TDP1 (0.49) SMN1; SMN2MRGPRX4PTGER4LMNANR4A2
SCHEMBL27335800 0.79 HDAC4 (0.44) SCN9ALMNALIPE
SCHEMBL30773325 0.79 HDAC4 (0.44) SCN9ALMNALIPE
SCHEMBL27335254 0.79 HDAC4 (0.44) SCN9ALMNALIPE
SCHEMBL20406363 0.78 SMN1; SMN2 (0.53) SMN1; SMN2LMNALIPETHRBFFAR1
SCHEMBL29074786 0.78 SCN9A (0.42) SMN1; SMN2SCN9ALMNATHRBKDR

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-2024003259-A1 TEAD INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-01-04 WO disclosed