SCHEMBL9336331

SCHEMBL9336331

O=C(Cl)C=Cc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.36
CYP1A2 P05177 3/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAOB P27338 2/20 0.33
F3 P13726 2/20 0.33
PTPN1 P18031 1/20 0.33
P4HB P07237 1/20 0.33
MAPT P10636 2/20 0.33
CXCL12 P48061 1/20 0.33
TNFRSF1A P19438 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL9462342 1.00 HDAC2 (0.36) HDAC2CYP1A2HDAC3HDAC4HDAC1
SCHEMBL9871317 0.88 ESR1 (0.46) HDAC2CYP1A2HDAC3HDAC4HDAC1
SCHEMBL9871321 0.88 ESR1 (0.46) HDAC2CYP1A2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL9462388 0.87 ESR1 (0.45) HDAC2CYP1A2HDAC3HDAC4HDAC1
SCHEMBL9336274 0.83 CYP1A2 (0.38) HDAC2CYP1A2HDAC1HDAC8HDAC6
SCHEMBL9873211 0.83 CYP1A2 (0.38) HDAC2CYP1A2HDAC1HDAC8HDAC6
SCHEMBL9462232 0.83 CA12 (0.51) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9462236 0.83 CA12 (0.51) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9874060 0.80 CA12 (0.55) CYP1A2MAOBMAPTCYP2C9
SCHEMBL9874348 0.80 KMT2A (0.50) HDAC2MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332042-B1 Aromatic compounds substituted by 4,6-bis-trichloromethyl-s-triazin-2-yl groups, process for their preparation and their use in photosensitive mixtures HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0332043-B1 Oxadiazole derivatives containing 4,6-bis-trichloromethyl-s-triazin-2-yl groups, process for their preparation and photosensitive mixture containing them HOECHST AG (DE) 1994-05-18 EP disclosed
US-5216158-A Oxadiazole compounds containing 4,6-bis-trichloromethyl-S-triazin-2-yl groups, process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
US-5064959-A Photoinitiators HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed
EP-0332043-A1 Oxadiazole derivatives containing 4,6-bis-trichloromethyl-s-triazin-2-yl groups, process for their preparation and photosensitive mixture containing them HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-13 EP disclosed