SCHEMBL10894209

SCHEMBL10894209

CCc1c(N)cc(N)cc1S(=O)(=O)N(CC)CCN(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL10894194 0.72 SERPINE1 (0.36) SERPINE1TSHRLMNAKMT2AMEN1
SCHEMBL17774582 0.66 LMNA (0.46) TSHRLMNAKMT2AMEN1ALDH1A1
SCHEMBL9320508 0.62 ALDH1A1 (0.52) TSHRLMNAKMT2AMEN1ALDH1A1
SCHEMBL10432144 0.62 DHFR (0.36) TSHRKMT2AMEN1ALDH1A1POLB
SCHEMBL29406750 0.61 KDM4E (0.48) TSHRLMNAKMT2AMEN1ALDH1A1
SCHEMBL9320675 0.61 SMN1; SMN2 (0.61) TSHRLMNAKMT2AALDH1A1KDM4E
SCHEMBL29403021 0.61 SMN1; SMN2 (0.61) TSHRLMNAKMT2AALDH1A1KDM4E
SCHEMBL17774612 0.61 PRKCI (0.49) SERPINE1TSHRLMNAKMT2AMEN1
SCHEMBL17774555 0.60 HTT (0.51) TSHRLMNAKMT2AMEN1ALDH1A1
SCHEMBL17774564 0.60 GAA (0.53) TSHRLMNAKMT2AMEN1ALDH1A1

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
US-4588810-A Basic triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 — — US disclosed
Send feedback