SCHEMBL9702171

SCHEMBL9702171

O=C1C(Cl)=C(NC(=O)c2ccccc2)C(=O)C(Cl)=C1NC(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 1.00
MEN1 O00255 1/20 1.00
PABPC1 P11940 1/20 1.00
CCR6 P51684 1/20 1.00
KMT2A Q03164 1/20 1.00
ATM Q13315 1/20 1.00
HSP90AA1 P07900 6/20 0.81
HSP90AB1 P08238 6/20 0.81
APAF1 O14727 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MITF O75030 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL7956944 0.90 HSP90AA1 (1.00) HKDC1MEN1PABPC1CCR6KMT2A
SCHEMBL14669410 0.80 HSP90AA1 (0.82) HKDC1MEN1PABPC1CCR6KMT2A
SCHEMBL19625589 0.77 HSP90AA1 (0.78) HKDC1MEN1PABPC1CCR6KMT2A
SCHEMBL16296749 0.77 HSP90AA1 (0.78) HKDC1MEN1PABPC1CCR6KMT2A
SCHEMBL7914905 0.77 MEN1 (0.62) HKDC1MEN1PABPC1CCR6KMT2A
SCHEMBL21779251 0.76 HSP90AA1 (0.76) HKDC1MEN1PABPC1CCR6KMT2A
SCHEMBL18425602 0.74 HSP90AA1 (0.72) HKDC1MEN1PABPC1CCR6KMT2A
SCHEMBL16297016 0.72 HSP90AA1 (0.67) HKDC1MEN1PABPC1CCR6KMT2A
SCHEMBL3794850 0.71 NPC1 (0.74) MEN1KMT2AATMMAPTMAPK1
SCHEMBL3790102 0.71 NPC1 (0.68) HKDC1MEN1PABPC1CCR6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5138054-A Colorfastness, photostability; red dye BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
US-4588810-A Basic triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US disclosed