SCHEMBL5801476

SCHEMBL5801476

c1cc(-c2ccnn3cnnc23)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
JAK2 O60674 1/20 0.41
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
KDR P35968 5/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
ATAD2 Q6PL18 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2A P29274 1/20 0.38
EED O75530 2/20 0.36
SUZ12 Q15022 2/20 0.36
EZH2 Q15910 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL2750730 0.87 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10KDR
SCHEMBL2804195 0.83 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11157418 0.80 KDR (0.42) KDM4EALDH1A1HPGDHSD17B10KDR
SCHEMBL23176187 0.72 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10KDR
SCHEMBL18878946 0.69 HTT (0.38) KDM4EALDH1A1HPGDHSD17B10ADORA2A
SCHEMBL8795590 0.69 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL24548242 0.69 HTT (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL31679754 0.69 HTT (0.46) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL2589970 0.69 KDR (0.48) ALDH1A1HPGDHSD17B10JAK2KDR
SCHEMBL23143318 0.67 JAK2 (0.46) JAK2TP53PKMKDRFLT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
EP-1691811-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION Sepracor, Inc. (US) 2006-08-23 EP disclosed
WO-2005060968-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION SEPRACOR INC. (US) 2005-07-07 WO disclosed