SCHEMBL25840818

SCHEMBL25840818

Cc1cnn(C(=N)n2cc(C(F)(F)F)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.53
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 4/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 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
SCHEMBL22492989 0.89 NOS1 (0.35) NOS1
SCHEMBL22492987 0.85 NOS1 (0.69) NOS1TGM2TGM1ALDH1A1MEN1
SCHEMBL24927409 0.69 NOS1 (0.36) NOS1TGM2TGM1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL3432525 0.68 NOS1 (0.96) NOS1TGM2TGM1ALDH1A1MEN1
SCHEMBL28738053 0.68 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL22353102 0.64 ROCK2 (0.42) MAPT
SCHEMBL20056886 0.64 NOS1 (0.43) NOS1TGM2TGM1
SCHEMBL13783359 0.63
SCHEMBL4666368 0.63
SCHEMBL31010274 0.63 AR (0.32) ALDH1A1HSD17B10KDM4ELMNABLM

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
US-20230220589-A1 POLYPEPTIDE TERMINAL BINDERS AND USES THEREOF Encodia, Inc. (US) 2023-07-13 US disclosed