SCHEMBL31599667

SCHEMBL31599667

CC(C)(C)C(=O)OCn1cnc2ccc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
NPC1 O15118 4/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCB11 O95342 1/20 0.34
POLA1 P09884 1/20 0.34
POLG P54098 1/20 0.34
FAP Q12884 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
CCR9 P51686 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NT5E P21589 1/20 0.33

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
SCHEMBL26188659 0.76 NPC1 (0.36) NPC1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL31599575 0.76 MAPK14 (0.35) NPC1ABCB11POLA1POLGFAP
SCHEMBL20774171 0.74 P2RX7 (0.49) TDP1ABCB11POLA1POLGFAP
SCHEMBL3730211 0.73 HSP90AB1 (0.49) HDAC6
SCHEMBL3848710 0.72 LMNA (0.42) NPC1RAB9APOLBALDH1A1
SCHEMBL29530593 0.71 BRD4 (0.38) FGFR1FGFR4HSD17B10SMN1; SMN2TSHR
SCHEMBL3727460 0.71 HSP90AB1 (0.38) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL6589975 0.70 SMN1; SMN2 (0.53) NPC1KMT2ACYP2C9CYP2C19RAB9A
SCHEMBL5565180 0.70 TNF (0.43) GAAPOLBNPSR1ALDH1A1HPGD
SCHEMBL9601170 0.70 TRPA1 (0.47) NPC1KMT2ACYP1A2CYP2C9CYP2C19

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-2025111251-A1 COMPOUNDS THAT INHIBIT POLO-LIKE KINASE 4 EXELIXIS, INC. (US) 2025-05-30 WO disclosed