SCHEMBL30449652

SCHEMBL30449652

CS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.49
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL147068 1.00 IDO1 (0.49) IDO1CYP11B1CYP11B2POLBALDH1A1
SCHEMBL30448914 1.00 IDO1 (0.49) IDO1CYP11B1CYP11B2POLBALDH1A1
SCHEMBL147069 1.00 IDO1 (0.49) IDO1CYP11B1CYP11B2POLBALDH1A1
SCHEMBL145967 0.95 IDO1 (0.44) IDO1CYP11B1CYP11B2POLBALDH1A1
SCHEMBL145968 0.95 IDO1 (0.44) IDO1CYP11B1CYP11B2POLBALDH1A1
SCHEMBL20198880 0.93 IDO1 (0.47) IDO1ALDH1A1MEN1KMT2ALMNA
SCHEMBL29978733 0.91 IDO1 (0.49) IDO1ALDH1A1MEN1KMT2ALMNA
SCHEMBL147127 0.91 IDO1 (0.49) IDO1ALDH1A1MEN1KMT2ALMNA
SCHEMBL147126 0.91 IDO1 (0.49) IDO1ALDH1A1MEN1KMT2ALMNA
SCHEMBL20198881 0.90 IDO1 (0.46) IDO1ALDH1A1MEN1KMT2ALMNA

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
CN-110139857-B Sulfoximine, sulfoximinamide, sulfodiimine, and diimine sulfonamide compounds as indoleamine 2,3-dioxygenase inhibitors 重庆复尚源创医药技术有限公司 2023-07-21 CN disclosed