SCHEMBL9488131

SCHEMBL9488131

Cc1cc(Cl)ccc1CS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
IDH1 O75874 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX7 Q99572 4/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38

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
SCHEMBL3672833 0.81 ERCC1 (0.51) CYP1A2CYP3A4CYP2D6ALOX15CYP2C19
SCHEMBL18292224 0.81 NR3C1 (0.42) ALDH1A1GAA
SCHEMBL5615559 0.79 ERCC1 (0.50) CYP1A2CYP3A4CYP2D6ALOX15CYP2C19
SCHEMBL23706649 0.78 PSEN1 (0.42) CYP1A2CYP2C19PSEN1PSEN2APH1B
SCHEMBL13321612 0.77 CYP3A4 (0.41) ALDH1A1FLT1FLT4KDRCYP3A4
SCHEMBL171203 0.76 CYP3A4 (0.43) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL27474700 0.76 FLT1 (0.40) ALDH1A1FLT1FLT4KDRCYP3A4
SCHEMBL27536511 0.76 FLT1 (0.40) ALDH1A1FLT1FLT4KDRCYP3A4
SCHEMBL27858505 0.76 FLT1 (0.40) ALDH1A1FLT1FLT4KDRCYP3A4
SCHEMBL27476142 0.76 FLT1 (0.40) ALDH1A1FLT1FLT4KDRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342532-B1 PROCESS FOR THE PREPARATION OF 4-CHLORO-2-METHYL-5-NITRO-PHENOL Wella Aktiengesellschaft (DE) 1993-01-07 EP claimed
US-4960955-A Process for making 4-chloro-2-methyl-5-nitro-phenol WELLA AKTIENGESELLSCHAFT (DE) 1990-10-02 US claimed
EP-0342532-A1 Process for the preparation of 4-chloro-2-methyl-5-nitro-phenol Wella Aktiengesellschaft (DE) 1989-11-23 EP claimed
EP-0342532-B1 PROCESS FOR THE PREPARATION OF 4-CHLORO-2-METHYL-5-NITRO-PHENOL Wella Aktiengesellschaft (DE) 1993-01-07 EP disclosed
US-4960955-A Process for making 4-chloro-2-methyl-5-nitro-phenol WELLA AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0342532-A1 Process for the preparation of 4-chloro-2-methyl-5-nitro-phenol Wella Aktiengesellschaft (DE) 1989-11-23 EP disclosed
US-4139530-A CATIONIC DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed