SCHEMBL20749449

SCHEMBL20749449

Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)[C@@H](C)N)c1cccc(F)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 16/20 0.70
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46

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
SCHEMBL20740056 0.91 IDH1 (0.58) IDH1
SCHEMBL20740055 0.91 IDH1 (0.58) IDH1
SCHEMBL20740097 0.91 IDH1 (0.58) IDH1
SCHEMBL19402860 0.91 IDH1 (0.58) IDH1MEN1KMT2AALDH1A1
SCHEMBL359676 0.87 IDH1 (0.78) IDH1MEN1NPC1KMT2ALMNA
SCHEMBL15119398 0.87 IDH1 (0.65) IDH1MEN1NPC1KMT2AALDH1A1
SCHEMBL15119264 0.86 IDH1 (0.64) IDH1MEN1NPC1KMT2ALMNA
SCHEMBL15118908 0.86 IDH1 (0.71) IDH1MEN1NPC1KMT2AALDH1A1
SCHEMBL10185877 0.85 IDH1 (0.78) IDH1MEN1NPC1KMT2ALMNA
SCHEMBL360507 0.85 IDH1 (0.78) IDH1MEN1NPC1KMT2ALMNA

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-3444237-B1 IRIDINESULFONAMIDE COMPOUND AND USE METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2020-10-28 EP disclosed
EP-3444237-A1 IRIDINESULFONAMIDE COMPOUND AND USE METHOD THEREOF Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-02-20 EP disclosed