SCHEMBL20041970

SCHEMBL20041970

CCN(CC)CNCc1cc(/C=N/CCC2CCCCC2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RECQL P46063 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ HTR2A P28223 1/20 0.30

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
SCHEMBL16305539 0.88 SIGMAR1 (0.34) HPGDMEN1KMT2ARECQLBCHE
SCHEMBL17984963 0.88 SIGMAR1 (0.34) HPGDMEN1KMT2ARECQLBCHE
SCHEMBL15994337 0.84 KDM5B (0.45) HPGDMEN1KMT2ARECQLNPC1
SCHEMBL15994335 0.84 KDM5B (0.45) HPGDMEN1KMT2ARECQLNPC1
SCHEMBL16303334 0.81 KDM5B (0.39) HPGDMEN1KMT2ARECQLNPC1
SCHEMBL17984973 0.81 KDM5B (0.39) HPGDMEN1KMT2ARECQLNPC1
SCHEMBL16292796 0.80 KDM5B (0.55) HPGDMEN1KMT2A
SCHEMBL16006901 0.80 KDM5B (0.55) HPGDMEN1KMT2A
SCHEMBL20041897 0.72 KDM5B (0.43) HPGDRECQLSMN1; SMN2
SCHEMBL16305527 0.69 S1PR1 (0.37) S1PR1

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
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
Send feedback