SCHEMBL22955422

SCHEMBL22955422

c1ccc2c(c1)Cn1c3ccccc3c3ccnc-2c31

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MCL1 Q07820 6/20 0.39
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
MAPT P10636 3/20 0.35
JAK3 P52333 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 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
SCHEMBL23239891 0.80 MCL1 (0.39) KDM4EHSD17B10HPGDNPC1RAB9A
SCHEMBL31318489 0.78 KDM4E (0.51) KDM4EHSD17B10HPGDNPC1RAB9A
SCHEMBL26376827 0.71 KDM4E (0.48) KDM4EHSD17B10HPGDNPC1RAB9A
SCHEMBL7670850 0.71 PTPN1 (0.41) MCL1JAK3
SCHEMBL26385151 0.70 KDM4E (0.50) KDM4EHSD17B10HPGDNPC1RAB9A
SCHEMBL17809894 0.70 MCL1 (0.40) KDM4EMCL1ALDH1A1
SCHEMBL17348607 0.69 KDM4E (0.50) KDM4EMCL1ALDH1A1KMT2A
SCHEMBL20340618 0.69 MCL1 (0.42) HPGDNPC1RAB9ASMN1; SMN2MCL1
SCHEMBL24527794 0.67 MAOA (0.42) KDM4ETP53TSHRMCL1MAPT
SCHEMBL26384875 0.67 ADRA1D (0.43) KDM4EHSD17B10HPGDNPC1RAB9A

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-2021022061-A1 ARYL HYDROCARBON RECEPTOR ACTIVATORS OREGON STATE UNIVERSITY (US) 2021-02-04 WO disclosed