SCHEMBL9325875

SCHEMBL9325875

Cc1cc(C)cc(SCC(C)N)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.55
MAOB P27338 4/20 0.55
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A4 P31645 2/20 0.33
TACR1 P25103 2/20 0.33
CA7 P43166 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7975244 0.78 MAOA (0.68) MAOAMAOBSLC6A4CA7SLC6A2
SCHEMBL23295274 0.77 HTT (0.32) MAOAMAOBALDH1A1LMNA
SCHEMBL8909149 0.71 MAOA (1.00) MAOAMAOBALDH1A1SLC6A4SLC6A2
SCHEMBL4099623 0.71 MAOA (1.00) MAOAMAOBALDH1A1SLC6A4SLC6A2
SCHEMBL2154407 0.70 ALDH1A1 (0.39) ALDH1A1TSHRLMNA
Hydrochloric Acid SCHEMBL8909768 0.70 MAOA (0.96) MAOAMAOBALDH1A1SLC6A4SLC6A2
SCHEMBL3510024 0.69 ALDH1A1 (0.36) MAOAALDH1A1TSHRSLC6A4LMNA
SCHEMBL9325099 0.68 MAOA (0.47) MAOAMAOBALDH1A1CA7LMNA
SCHEMBL6693638 0.68 MAOA (0.64) MAOAMAOBSLC6A4SLC6A2SLC6A3
SCHEMBL30312969 0.68 MAOA (0.66) MAOAMAOBSLC6A4SLC6A2SLC6A3

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
EP-0273328-B1 Triazine derivatives and herbicides containing said derivatives IDEMITSU KOSAN CO (JP) 1994-03-09 EP disclosed
US-4844731-A HERBICIDES FOR RICE PADDYS IDEMITSU COMPANY CO., LTD. (JP) 1989-07-04 US disclosed
EP-0273328-A2 Triazine derivatives and herbicides containing said derivatives IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-07-06 EP disclosed