SCHEMBL11325122

SCHEMBL11325122

C=CC(=O)Nc1cccc(N)c1N(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.41
▸ MEF2D Q14814 1/20 0.41
▸ TGM2 P21980 3/20 0.38
▸ JAK3 P52333 2/20 0.37
▸ BTK Q06187 5/20 0.37
▸ TEC P42680 1/20 0.37
▸ TXK P42681 1/20 0.37
▸ BMX P51813 1/20 0.37
▸ ITK Q08881 1/20 0.37
▸ ERBB4 Q15303 1/20 0.37
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RORC P51449 1/20 0.35

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
SCHEMBL11334908 0.78 ALDH1A1 (0.52) HDAC1HDAC2PTPN1MEN1KMT2A
SCHEMBL16096123 0.76 TGM2 (0.47) TGM2JAK3BTKTECTXK
SCHEMBL29416535 0.75 TGM2 (0.55) HDAC4TGM2HDAC1HDAC2PTPN1
SCHEMBL2316517 0.75 TGM2 (0.55) HDAC4TGM2HDAC1HDAC2PTPN1
SCHEMBL21322422 0.75 S100B (0.46) HDAC4MEF2DHDAC1MEN1NPC1
Hydrochloric Acid SCHEMBL29278808 0.74 TGM2 (0.53) HDAC4TGM2HDAC1HDAC2PTPN1
SCHEMBL10024764 0.73 PTPN1 (0.51) TGM2BTKPTPN1PTPN11NPC1
SCHEMBL7655945 0.71 ALDH1A1 (0.44) —
SCHEMBL17931860 0.70 TGM2 (0.46) TGM2JAK3BTKTECTXK
SCHEMBL7178423 0.69 EGFR (0.52) HDAC4TGM2HDAC1HDAC2MEN1

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-4243584-A Monoazo dyestuffs containing diazo component substituted by disulfimide and trifluoromethyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 — — US disclosed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 — — US disclosed
US-3978039-A POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 — — US disclosed
Send feedback