SCHEMBL13680937

SCHEMBL13680937

O=CCCc1csc(-c2ccc(C(=O)O)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 2/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43

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
SCHEMBL13680932 0.88 KMT2A (0.47) KDM4ERAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL13680945 0.88 MEN1 (0.52) KDM4ERAB9AMEN1KMT2ALMNA
SCHEMBL13680958 0.84 RXFP1 (0.57) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13680946 0.84 AVPR1B (0.47) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL13680951 0.84 MAPT (0.55) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL13681269 0.84 MAPT (0.47) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL13680943 0.84 RAB9A (0.48) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL13680920 0.84 RAB9A (0.56) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL13681044 0.84 MAPT (0.41) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13681039 0.84 MAPT (0.43) KDM4ERAB9ANPC1SMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed