SCHEMBL9816031

SCHEMBL9816031

CCCCNc1cccc2ccc(O)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.55
ADRA1A P35348 2/20 0.50
ADRA1D P25100 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
TLR8 Q9NR97 1/20 0.44
MCL1 Q07820 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL11492523 0.95 TRPV1 (0.54) TRPV1ADRA1AADRA1DKDM4EMAPT
SCHEMBL9816152 0.84 ADRA1A (0.55) TRPV1ADRA1AADRA1DKDM4EMAPT
SCHEMBL731902 0.80 ALDH1A1 (0.67) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL30301306 0.80 ALDH1A1 (0.67) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL4790558 0.79 CNR1 (0.50) TRPV1KDM4EMAPTALDH1A1GAA
SCHEMBL4857964 0.78 TLR8 (0.50) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL27467257 0.78 CNR1 (0.56) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL11722439 0.78 TRPV1 (0.67) TRPV1KDM4EMAPTMEN1RAB9A
SCHEMBL9156403 0.77 NAAA (0.50) MAPTTSHRMEN1KMT2ATLR8
SCHEMBL31006472 0.76 IDO1 (0.52) ADRA1AADRA1DKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255643-B1 METAL COMPLEX COMPOUND USEFUL AS A NEAR INFRARED ABSORBER HODOGAYA CHEMICAL CO., LTD. (JP) 1991-10-09 EP disclosed
EP-0099538-B1 CARBACYCLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-11 EP disclosed
US-4977249-A FOR OPTICAL FILTERS OR SHIELDS HODOGAYA CHEMICAL CO., LTD. (JP) 1990-12-11 US disclosed
EP-0255643-A2 Metal complex compound useful as a near infrared absorber HODOGAYA CHEMICAL CO., LTD. (JP) 1988-02-10 EP disclosed