SCHEMBL21779759

SCHEMBL21779759

CCn1c2c(c3ccccc31)CC=CC=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 8/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HBB P68871 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL22298378 0.79 GPR3 (0.45) ALDH1A1KDM4EMAPTHSD17B10MAPK1
SCHEMBL13538135 0.78 ALDH1A1 (0.45) ALDH1A1KDM4ERAB9AMAPTHSD17B10
SCHEMBL24611521 0.78 GPR3 (0.31) KDM4EHSD17B10MAPK1TP53CYP1A2
SCHEMBL18830928 0.75 KDM4E (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16229867 0.72 KDM4E (0.43) ALDH1A1KDM4ERAB9AMAPTHSD17B10
SCHEMBL4870982 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL24180790 0.71 KDM4E (0.39) KDM4EL3MBTL1
SCHEMBL24180853 0.71 KDM4E (0.42) KDM4EL3MBTL1
SCHEMBL24830090 0.71 KDM4E (0.42) KDM4EL3MBTL1
SCHEMBL130765 0.70 ALDH1A1 (0.40) ALDH1A1KDM4ERAB9AMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640252-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2020-04-22 — — EP disclosed
EP-3637489-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-04-15 — — EP disclosed
EP-3617215-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-03-04 — — EP disclosed
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