SCHEMBL18954538

SCHEMBL18954538

CCOC(=O)CCCN1C(=O)C(=O)c2cc(F)c(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ TNF P01375 6/20 0.45
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KAT2B Q92831 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ PPOX P50336 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL18954712 0.93 ALDH1A1 (0.47) ALDH1A1TNFMAPTHTTHSD17B10
SCHEMBL18954583 0.81 ALDH1A1 (0.47) ALDH1A1TNFMAPTHTTHSD17B10
SCHEMBL18954676 0.81 ALDH1A1 (0.56) ALDH1A1MAPTHTTHSD17B10TSHR
SCHEMBL18954700 0.81 ALDH1A1 (0.47) ALDH1A1TNFMAPTHTTHSD17B10
SCHEMBL18954685 0.81 PARK7 (0.58) ALDH1A1MAPTHTTHSD17B10TSHR
SCHEMBL28527361 0.80 CES1 (0.43) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL18954612 0.79 ALDH1A1 (0.73) ALDH1A1MAPTHTTHSD17B10TSHR
SCHEMBL18954646 0.77 ALDH1A1 (0.45) ALDH1A1TNFMAPTHTTHSD17B10
SCHEMBL18954556 0.77 ALDH1A1 (0.57) ALDH1A1MAPTHTTHSD17B10TSHR
SCHEMBL18955310 0.77 ALDH1A1 (0.56) ALDH1A1TNFMAPTHTTHSD17B10

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
WO-2017099695-A1 N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS ISTANBUL UNIVERSITESI REKTORLUGU (TR) 2017-06-15 — — WO disclosed
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