SCHEMBL8355751

SCHEMBL8355751

N=C(N)NCCSCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.55
▸ ALDH1A1 P00352 5/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37

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
SCHEMBL11111851 0.82 MAPK1 (0.51) LMNAALDH1A1CYP1A2TSHRMAPK1
Iodide SCHEMBL7279091 0.82 ALDH1A1 (0.47) LMNAALDH1A1CYP1A2TSHRMAPK1
SCHEMBL10310267 0.80 HRH3 (0.56) LMNAALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL11530435 0.79 DAO (0.36) LMNAALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL8355552 0.79 DAO (0.40) LMNAALDH1A1SMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL11198986 0.79 LMNA (0.62) LMNAALDH1A1CYP1A2TSHRMAPK1
Hydrochloric Acid SCHEMBL29074395 0.78 LMNA (0.57) LMNAALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL11194269 0.78 LMNA (0.50) LMNAALDH1A1CYP1A2TSHRMAPK1
SCHEMBL10310339 0.78 ALDH1A1 (0.61) LMNAALDH1A1CYP1A2SMN1; SMN2HPGD
SCHEMBL8351882 0.77 ALDH1A1 (0.42) LMNAALDH1A1TSHRSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952361-A Compositions DIAS NAHOUM CESAR ROBERTO (US) 1999-09-14 — — US disclosed
US-5908853-A THERAPY FOR SEXUAL DISORDERS Nahoum, Cesar Roberto Dias (BR) 1999-06-01 — — US disclosed
US-5773457-A Compositions Nahoum, Cesar Roberto Dias (BR) 1998-06-30 — — US disclosed
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