SCHEMBL9874491

SCHEMBL9874491

Cc1cccc2c3ccsc3cc-2c1.c1ccc2cc3sccc3c-2cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
SLC9A1 P19634 2/20 0.40
ALOX5 P09917 1/20 0.39
ADORA1 P30542 2/20 0.38
CNR1 P21554 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ENPP3 O14638 1/20 0.36
ADORA2A P29274 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
CHEK1 O14757 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL9825320 0.94 SLC9A1 (0.38) CNR2SLC9A1ALOX5CNR1KMT2A
SCHEMBL9749622 0.87 ALOX5 (0.46) SLC9A1ALOX5ADORA2A
SCHEMBL9825192 0.76 KDM4E (0.39) ALOX5NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL4315241 0.76 ADRA2A (0.49) SLC9A1ALOX5HPGDADORA2AMAP4K4
SCHEMBL2922149 0.73 RAB9A (0.52) CNR2ADORA1CNR1NPC1RAB9A
SCHEMBL9824974 0.73 RXRA (0.36) ALOX5SMN1; SMN2HPGDCA9ALDH1A1
SCHEMBL28414965 0.73 ACHE (0.55) CNR2ADORA1CNR1NPC1RAB9A
SCHEMBL9876284 0.72 ADORA1 (0.42) CNR2SLC9A1ADORA1CNR1NPC1
SCHEMBL10944347 0.72 ADRA2A (0.51) SLC9A1ALOX5ADORA2AGSK3BMAPT
SCHEMBL23555402 0.71 ADRA2A (0.45) NPC1RAB9ASMN1; SMN2MAOBCSF1R

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
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed