SCHEMBL23601705

SCHEMBL23601705

Cc1cccc(-c2ccc(C3CC3)nn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
IDO1 P14902 1/20 0.46
METAP2 P50579 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NISCH Q9Y2I1 2/20 0.40

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
SCHEMBL24721522 0.80 CTSS (0.39) SMN1; SMN2ALDH1A1MAPTKDM4EHPGD
SCHEMBL23601694 0.79 KDM1A (0.50) KDM1AIDO1METAP2NPC1RAB9A
SCHEMBL23601916 0.79 NOTUM (0.44) KDM1AIDO1METAP2CASP3SENP7
SCHEMBL29105356 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ACHECHRNB4
SCHEMBL20924174 0.78 KDM1A (0.68) KDM1AIDO1METAP2
SCHEMBL24359756 0.77 RAB9A (0.49) KDM1AIDO1METAP2NPC1RAB9A
SCHEMBL10985177 0.74 RAB9A (0.46) KDM1AIDO1METAP2NPC1RAB9A
SCHEMBL16826158 0.74 RAB9A (0.49) KDM1AIDO1METAP2NPC1RAB9A
SCHEMBL13680659 0.71 RAB9A (0.66) KDM1AIDO1METAP2NPC1RAB9A
SCHEMBL23601604 0.71 NPC1 (0.44) KDM1AIDO1METAP2NPC1RAB9A

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed