SCHEMBL31190897

SCHEMBL31190897

COC(=O)c1ccn2cc(-c3ccccc3-c3ccc(Cl)cc3F)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 10/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ALDH1A3 P47895 2/20 0.39
ALDH1A2 O94788 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
PKM P14618 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL31190893 0.90 ALPL (0.42) SUV39H2KDM4ERAB9ANPC1MAPT
SCHEMBL31298258 0.81 NPC1 (0.42) SUV39H2KDM4ERAB9ANPC1MAPT
SCHEMBL31190943 0.81 RAB9A (0.45) SUV39H2KDM4ERAB9ANPC1MAPT
SCHEMBL16003620 0.80 FFAR1 (0.47) SUV39H2KDM4ERAB9ANPC1MAPT
SCHEMBL31190882 0.79 ALPL (0.40) SUV39H2KDM4ERAB9ANPC1MAPT
SCHEMBL31091934 0.79 NPC1 (0.41) SUV39H2KDM4ERAB9ANPC1MAPT
SCHEMBL31091845 0.79 SUV39H2 (0.45) SUV39H2KDM4ERAB9ANPC1MAPT
SCHEMBL31091959 0.78 ALDH1A1 (0.38) SUV39H2KDM4ERAB9ANPC1MAPT
SCHEMBL3922955 0.78 RAB9A (0.55) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL31298286 0.78 ALDH1A1 (0.41) SUV39H2KDM4ERAB9ANPC1MAPT

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-2024220543-A1 NK3 MODULATORS AND USES THEREOF KALLYOPE, INC. (US) 2024-10-24 WO disclosed