SCHEMBL23398381

SCHEMBL23398381

COc1ccc(-n2nc(O)c(-c3ccc(C)cc3)c2-c2ccccc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 1/20 0.41
CCKAR P32238 2/20 0.41
CFTR P13569 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
RPA1 P27694 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL23402516 0.93 RPA1 (0.47) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23400473 0.92 DCTPP1 (0.40) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23402309 0.88 NPC1 (0.42) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL23403035 0.88 MEN1 (0.41) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL23399732 0.87 RAB9A (0.50) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23403610 0.87 RAB9A (0.50) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23403439 0.86 PTGS1 (0.47) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23399657 0.84 PTGS1 (0.46) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23401677 0.83 HTT (0.44) RAB9ANPC1HPGDALDH1A1PTGS1
SCHEMBL23399539 0.81 HIF1A (0.44) RAB9ANPC1POLBHPGDSMN1; SMN2

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed