SCHEMBL6238401

SCHEMBL6238401

Fc1ccccc1Cc1n[c]cs1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TAAR1 Q96RJ0 2/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DAO P14920 1/20 0.34
P2RX7 Q99572 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6238639 0.78 ALDH1A1 (0.36) IDO1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL2093905 0.71 RAB9A (0.38) IDO1NPC1RAB9ATAAR1ALDH1A1
SCHEMBL9561133 0.70 NPC1 (0.45) IDO1NPC1RAB9ATAAR1KMT2A
SCHEMBL6235370 0.70 IDO1 (0.42) IDO1TAAR1KMT2AMEN1KDM4E
SCHEMBL3301625 0.70 TAAR1 (0.59) IDO1TAAR1ARKDM4EALDH1A1
SCHEMBL6002379 0.67 SLC6A3 (0.41) TAAR1ARDAOSMN1; SMN2
SCHEMBL4806763 0.66
SCHEMBL28654144 0.66 ALDH1A1 (0.59) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL2091553 0.64 ALDH1A1 (0.46) IDO1NPC1RAB9AKMT2AKDM4E
SCHEMBL2095762 0.64 LTA4H (0.39) IDO1NPC1RAB9ATAAR1KMT2A

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
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO claimed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed