SCHEMBL31291990

SCHEMBL31291990

C#Cc1nc(N(Cc2ccc(F)cc2)c2cc(OC)cc(OC)c2)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.35
NQO2 P16083 1/20 0.34
MAOB P27338 1/20 0.34
CYP1A2 P05177 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2B6 P20813 1/20 0.34
PYCR1 P32322 2/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 1/20 0.33
FGFR1 P11362 3/20 0.33
FGFR2 P21802 3/20 0.33
FGFR4 P22455 3/20 0.33
FGFR3 P22607 3/20 0.33
CYP1A1 P04798 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
KDR P35968 2/20 0.32

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
SCHEMBL31291800 0.84 CYP1B1 (0.32) CYP1B1NQO2MAOBLMNAMAPT
SCHEMBL31291832 0.77 HDAC3 (0.42) CYP1A2LMNAMAPTSMN1; SMN2CYP2C8
SCHEMBL31291881 0.69 MEN1 (0.43) CYP1A2LMNACYP2C8CYP2B6KMT2A
SCHEMBL31292040 0.66 F2 (0.38) LMNAMAPTSMN1; SMN2KMT2ATP53
SCHEMBL31291991 0.64 TRPM8 (0.43) LMNAMAPTSMN1; SMN2
SCHEMBL8061283 0.60 ESR1 (0.54) LMNAKMT2A
SCHEMBL25074071 0.60 RNF4 (0.55) LMNAMAPTSMN1; SMN2
SCHEMBL15491999 0.59 ESR2 (0.76) MAOBLMNA
SCHEMBL25074068 0.58 MAPT (0.53) MAOBLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL31291986 0.58 MEN1 (0.43) LMNAMAPTKMT2APOLB

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-2025030117-A1 FERROPTOSIS INDUCERS ARPEGGIO BIOSCIENCES, INC. (US) 2025-02-06 WO disclosed