SCHEMBL9833339

SCHEMBL9833339

O=c1nc(-c2ccc(S(=O)(=O)O)cc2)c2c(=O)nc(-c3ccccc3)c1=2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
PHGDH O43175 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 4/20 0.39
PTGS1 P23219 3/20 0.39
LMNA P02545 1/20 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
SCHEMBL8091957 0.93 LMNA (0.43) TSHRSMN1; SMN2POLBCYP2D6TDP1
SCHEMBL5840669 0.82 KDM4E (0.45) TSHRSMN1; SMN2POLBTDP1LMNA
SCHEMBL771038 0.82 KDM4E (0.46) TSHRSMN1; SMN2POLBTDP1LMNA
SCHEMBL9835102 0.78 TDP1 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL34718 0.78 TSHR (0.71) TSHRSMN1; SMN2POLBCYP2D6CA12
SCHEMBL30029777 0.78 TSHR (0.71) TSHRSMN1; SMN2POLBCYP2D6CA12
SCHEMBL21993467 0.78 TSHR (0.71) TSHRSMN1; SMN2POLBCYP2D6CA12
SCHEMBL15849846 0.78 TSHR (0.71) TSHRSMN1; SMN2POLBCYP2D6CA12
SCHEMBL7556164 0.77 KDM4E (0.60) SMN1; SMN2CYP2D6LMNA
SCHEMBL9351559 0.77 KDM4E (0.60) SMN1; SMN2CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224445-B1 PYRROLO-PYRROLE PIGMENT PREPARATIONS, THEIR PREPARATION PROCESS AND THEIR USE CIBA-GEIGY AG (CH) 1991-09-04 EP disclosed