SCHEMBL25835747

SCHEMBL25835747

O=C(c1ccc(NC2CC2)cc1)N1CCC(F)(F)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
RHOC P08134 1/20 0.48
RHOA P61586 1/20 0.48
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
KMT2A Q03164 2/20 0.44
CCR5 P51681 5/20 0.43
PTPN1 P18031 1/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PAK1 Q13153 1/20 0.41
EPHX1 P07099 1/20 0.41
HSD11B1 P28845 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL25834424 0.82 HCAR3 (0.57)
SCHEMBL31285611 0.81 NAMPT (0.51) NAMPTKMT2AEPHX2LMNATSHR
SCHEMBL912370 0.80 KDM4E (0.49) NAMPTKMT2AEPHX1
SCHEMBL28883063 0.77 HPGD (0.50) NAMPT
SCHEMBL25834884 0.77 HCAR3 (0.58) EPHX2
SCHEMBL6844682 0.76 HCAR3 (0.47) NAMPTEPHX2LMNA
SCHEMBL15058756 0.75 ALDH1A1 (0.60) KMT2AMAPTLMNAHSD11B1
SCHEMBL1948437 0.75 MGLL (0.49) NAMPTKMT2ALMNATSHR
SCHEMBL2207893 0.75 HPGD (0.66) LMNAHSD11B1
SCHEMBL12082834 0.75 GABRD (0.63) KMT2AMAPTLMNAHSD11B1

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-2023137356-A1 15-PGDH INHIBITORS VENTYX BIOSCIENCES, INC. (US) 2023-07-20 WO disclosed