SCHEMBL8582700

SCHEMBL8582700

CCC1CCCc2c1n(N)c1ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 1/20 0.42
▸ PTGDR Q13258 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PDE1A P54750 2/20 0.38
▸ SMPD1 P17405 1/20 0.37
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ PER2 O15055 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL26247007 0.72 TBXA2R (0.55) TBXA2RPTGDR
SCHEMBL8580723 0.72 MEN1 (0.36) HPGDALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8572018 0.66 CA1 (0.57) ALDH1A1MEN1KMT2AHSD17B10CA1
SCHEMBL5513518 0.66 MEN1 (0.45) TBXA2RPTGDRHPGDALDH1A1MEN1
SCHEMBL28328665 0.66 HSD17B10 (0.45) HPGDALDH1A1MEN1KMT2AHSD17B10
SCHEMBL19374171 0.66 ALDH1A1 (0.54) HPGDALDH1A1MEN1KMT2AHSD17B10
SCHEMBL20468978 0.65 CA1 (0.58) ALDH1A1MEN1KMT2AHSD17B10CA1
SCHEMBL21538077 0.65 CA1 (0.58) ALDH1A1MEN1KMT2AHSD17B10CA1
SCHEMBL4967660 0.65 KDM4E (0.46) TBXA2RPTGDRHPGDALDH1A1MEN1
SCHEMBL13751063 0.65 BRD3 (0.61) HPGDMEN1KMT2AHSD17B10

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-1998011895-A1 A METHOD FOR THE PREVENTION OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-03-26 — — WO disclosed
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