SCHEMBL20160685

SCHEMBL20160685

FC(F)(F)CN1CCC(I)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
JAK1 P23458 2/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
HPGDS O60760 6/20 0.32
GPR119 Q8TDV5 1/20 0.32
DCPS Q96C86 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL20118722 0.84 CYP3A4 (0.37) KDM1A
SCHEMBL445603 0.80 KDM1A (0.39) KDM1AJAK1JAK2TYK2JAK3
SCHEMBL18663991 0.79 HTR2B (0.32)
SCHEMBL1978527 0.78 KDM1A (0.38) KDM1AJAK1JAK2TYK2JAK3
SCHEMBL20635752 0.78 KDM1A (0.38) KDM1AJAK1JAK2TYK2JAK3
SCHEMBL834995 0.78 ACHE (0.43) KDM1AHPGDSGPR119
SCHEMBL827042 0.78 KDM1A (0.38) KDM1AJAK1JAK2TYK2JAK3
SCHEMBL445604 0.78 KDM1A (0.38) KDM1AJAK1JAK2TYK2JAK3
SCHEMBL459481 0.78 GNAI3 (0.39) KDM1AJAK1JAK2TYK2JAK3
SCHEMBL25235628 0.78 KDM1A (0.34) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4115882-A1 COMPOUNDS FOR IMPROVING MRNA SPLICING The General Hospital Corporation (US) 2023-01-11 EP disclosed
EP-3831822-A1 POLYSUBSTITUTED BENZENE COMPOUND AND PREPARATION METHOD AND USE THEREOF Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2021-06-09 EP disclosed
WO-2019020041-A1 COMPOUND AS ACC INHIBITOR AND USE THEREOF 南京圣和药业股份有限公司 2019-01-31 WO disclosed
WO-2018086589-A1 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES 上海海雁医药科技有限公司 2018-05-17 WO disclosed