SCHEMBL19519086

SCHEMBL19519086

N/C=C\C(=O)NNc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 4/20 0.51
TP53 P04637 1/20 0.49
P2RX7 Q99572 1/20 0.48
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
PKM P14618 2/20 0.45
FTO Q9C0B1 1/20 0.44
HIF1A Q16665 1/20 0.44
NAMPT P43490 1/20 0.43
PTBP1 P26599 1/20 0.42
KLF5 Q13887 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL9130883 0.76 NPC1 (0.58) ALDH1A1KDM4ETP53P2RX7RAB9A
SCHEMBL29136551 0.76 P2RX7 (0.51) ALDH1A1KDM4ETP53P2RX7RAB9A
SCHEMBL19322921 0.75 CYP3A4 (0.60) ALDH1A1KDM4ETP53P2RX7RAB9A
SCHEMBL27532876 0.72 KDM4E (0.51) ALDH1A1KDM4EP2RX7RAB9ANPC1
SCHEMBL19318495 0.71 TSHR (0.58) ALDH1A1KDM4ETP53P2RX7RAB9A
SCHEMBL10001058 0.68 CYP1A1 (0.63) ALDH1A1RAB9ANPC1LMNAMEN1
SCHEMBL17745504 0.68 CYP1A1 (0.63) ALDH1A1RAB9ANPC1LMNAMEN1
SCHEMBL9551726 0.68
SCHEMBL14164232 0.68 ALDH1A1 (0.71) ALDH1A1KDM4ETP53RAB9ANPC1
SCHEMBL17667093 0.68 ALDH1A1 (1.00) ALDH1A1KDM4ETP53RAB9ANPC1

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-2736887-B1 HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2017-10-18 EP disclosed