SCHEMBL9795462

SCHEMBL9795462

O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12)c1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.70
ALDH1A1 P00352 3/20 0.57
POLB P06746 1/20 0.57
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.48
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.43
SLC16A1 P53985 1/20 0.43
ENPP2 Q13822 1/20 0.43
USP2 O75604 1/20 0.43
CREBBP Q92793 1/20 0.43
KDR P35968 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL18920877 0.89 APEX1 (0.74) APEX1ALDH1A1POLBCYP2C19HPGD
SCHEMBL6562576 0.85 APEX1 (0.70) APEX1ALDH1A1POLBCYP1A2CYP2C19
SCHEMBL9822611 0.85 APEX1 (0.59) APEX1ALDH1A1POLBHPGDKMT2A
SCHEMBL9411865 0.82 APEX1 (1.00) APEX1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL1413131 0.82 APEX1 (1.00) APEX1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL11594484 0.81 APEX1 (0.70) APEX1ALDH1A1KMT2ARAB9AMAPT
SCHEMBL10876642 0.81 APEX1 (0.77) APEX1ALDH1A1POLBKMT2ARAB9A
SCHEMBL11508852 0.80 APEX1 (0.84) APEX1ALDH1A1POLBKMT2ARAB9A
SCHEMBL10485633 0.80 APEX1 (0.77) APEX1ALDH1A1POLBKMT2ARAB9A
SCHEMBL11139178 0.79 APEX1 (0.61) APEX1ALDH1A1POLBHPGDKMT2A

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
EP-0238894-B1 VINYLSULFONE TYPE FIBER-REACTIVE MONOAZO COMPOUND HAVING BENZOYLAMINO-CARRYING COUPLER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-16 EP disclosed
US-4824942-A Fiber-reactive monoazo compound and aqueous compositions thereof imparting and color SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed