SCHEMBL3835902

SCHEMBL3835902

CC(C)(NC(=O)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.52
IMPDH2 P12268 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
PTGER4 P35408 1/20 0.50
KCNN4 O15554 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 3/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
ADAMTS4 O75173 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL3039120 0.88 POLB (0.58) IMPDH2POLBKCNK9ADAMTS4ADAMTS5
SCHEMBL3836272 0.86 RAB9A (0.57) IMPDH2NPC1RAB9AALDH1A1POLB
SCHEMBL3838597 0.85 IMPDH2 (0.52) IMPDH2KMT2ANPC1RAB9AALDH1A1
SCHEMBL94229 0.85 IMPDH2 (0.52) IMPDH2RAB9APOLBKCNK9ADAMTS4
SCHEMBL3835811 0.83 POLB (0.56) IMPDH2MEN1KMT2ANPC1RAB9A
SCHEMBL3836954 0.83 IMPDH2 (0.51) IMPDH2MEN1KMT2ANPC1RAB9A
SCHEMBL3043849 0.83 NPC1 (0.56) PPARGIMPDH2MEN1KMT2ANPC1
SCHEMBL3834428 0.81 ROCK2 (0.49) IMPDH2NPC1KCNN4RAB9AALDH1A1
SCHEMBL3837433 0.81 RAB9A (0.53) IMPDH2MEN1KMT2ANPC1RAB9A
SCHEMBL3860731 0.81 EPHX2 (0.50) IMPDH2RAB9AALDH1A1POLBADAMTS4

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-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-4234515-A Preparation of N,N-difluoroamines RESEARCH INSTITUTE FOR MEDICINE & CHEMISTRY INC. (US) 1980-11-18 US disclosed