SCHEMBL31552005

SCHEMBL31552005

COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C(F)(F)F)c(C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
TSPO P30536 1/20 0.41
PDK1 Q15118 1/20 0.40
MAPT P10636 1/20 0.39
APLNR P35414 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
EPHX2 P34913 1/20 0.38
AR P10275 2/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
PYCR1 P32322 1/20 0.37

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
SCHEMBL31491029 1.00 QPCT (0.43) QPCTMEN1ALDH1A1KMT2ALMNA
SCHEMBL30710039 0.84 QPCT (0.42) QPCTMEN1ALDH1A1KMT2ALMNA
SCHEMBL26694781 0.84 QPCT (0.42) QPCTMEN1ALDH1A1KMT2ALMNA
SCHEMBL31057481 0.81 ALDH1A1 (0.44) QPCTMEN1ALDH1A1KMT2ALMNA
SCHEMBL31057607 0.81 QPCT (0.42) QPCTMEN1ALDH1A1KMT2ALMNA
SCHEMBL26695023 0.79 BMP1 (0.48) QPCTMEN1KMT2ALMNAMAPT
SCHEMBL29999664 0.79 QPCT (0.38) QPCTMEN1ALDH1A1KMT2ALMNA
SCHEMBL26694776 0.79 LMNA (0.41) QPCTMEN1ALDH1A1KMT2ALMNA
SCHEMBL29999653 0.79 LMNA (0.41) QPCTMEN1ALDH1A1KMT2ALMNA
SCHEMBL26694832 0.79 QPCT (0.38) QPCTMEN1ALDH1A1KMT2ALMNA

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-2025064542-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2025-03-27 WO disclosed