SCHEMBL10567142

SCHEMBL10567142

COc1ccc(CCCCc2cnc(S)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CALM1 P0DP23 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.44
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ PLA2G7 Q13093 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ DAO P14920 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41

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
SCHEMBL10564786 0.97 CALM1 (0.50) IGF1RALOX15CALM1CASP3SENP8
SCHEMBL10569187 0.91 DAO (0.50) IGF1RALOX15CALM1PDGFRBPDGFRA
SCHEMBL10490729 0.84 BRS3 (0.46) HRH3TAAR1ALDH1A1POLBDAO
SCHEMBL10566495 0.80 IGF1R (0.47) IGF1RALOX15CALM1ALDH1A1
SCHEMBL10565636 0.79 HRH3 (0.53) IGF1RALOX15HRH3DAO
SCHEMBL10569546 0.76 SLC28A3 (0.46) IGF1RALOX15CALM1TAAR1ALDH1A1
SCHEMBL4254058 0.76 CALM1 (0.72) IGF1RALOX15CALM1TAAR1TDP1
SCHEMBL10566942 0.76 HRH3 (0.49) HRH3TAAR1DAO
SCHEMBL11007798 0.74 CALM1 (0.69) IGF1RALOX15CALM1TAAR1TDP1
SCHEMBL10571532 0.74 CALM1 (0.69) IGF1RALOX15CALM1TAAR1TDP1

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-0302603-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-02-08 — — EP claimed
US-4798843-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-17 — — US claimed
EP-0302603-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-02-08 — — EP disclosed
US-4798843-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-17 — — US disclosed
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