SCHEMBL9738288

SCHEMBL9738288

c1ccc(OC(Oc2ccccc2)c2nc(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)n(C3CCCCC3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 2/20 0.33
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL9739948 0.89 SLC33A1 (0.33) SLC33A1
SCHEMBL9738783 0.88 SLC33A1 (0.35) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9738552 0.88 SLC33A1 (0.34) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9739892 0.88 SLC33A1 (0.37) SLC33A1
SCHEMBL9553055 0.87 SLC33A1 (0.36) SLC33A1ALDH1A1TSHRL3MBTL1TRPV1
SCHEMBL9553031 0.85 SLC33A1 (0.36) SLC33A1ALDH1A1TRPV1KCNJ6KCNJ5
SCHEMBL9553453 0.83 ALDH1A1 (0.36) SLC33A1ALDH1A1TSHRSMN1; SMN2TRPV1
SCHEMBL9553197 0.83 SLC33A1 (0.35) SLC33A1ALDH1A1TSHRSMN1; SMN2TRPV1
SCHEMBL9552275 0.83 SLC33A1 (0.34) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9739362 0.83 SLC33A1 (0.34) SLC33A1ALDH1A1TSHRNPC1RAB9A

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-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO claimed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed