SCHEMBL22609642

SCHEMBL22609642

N#Cc1cc(-c2ccccc2)cc(C#N)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
KDM4E B2RXH2 7/20 0.52
HPGD P15428 4/20 0.52
MCL1 Q07820 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 3/20 0.49
GLA P06280 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
ADORA1 P30542 3/20 0.44
ADORA2A P29274 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
GRM6 O15303 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
SCHEMBL28010989 0.86 CYP11B1 (0.51) ALDH1A1KDM4EHPGDMCL1TDP1
SCHEMBL29914908 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMCL1TDP1
SCHEMBL819196 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMCL1TDP1
SCHEMBL25983810 0.82 KDM4E (0.52) ALDH1A1KDM4EHPGDTDP1NPSR1
SCHEMBL29914873 0.81 MCL1 (0.46) ALDH1A1KDM4EHPGDMCL1TDP1
SCHEMBL20739844 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMCL1TDP1
SCHEMBL28228175 0.80 ESR1 (0.37) ALDH1A1KDM4EHPGDMCL1TDP1
SCHEMBL16098270 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMCL1TDP1
SCHEMBL16984847 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMCL1TDP1
SCHEMBL18204411 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMCL1TDP1

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
US-11873407-B2 Diketopyrrolopyrrole pigment compound having high weathering resistance and preparation method therof CINIC CHEMICALS (SHANGHAI) CO., LTD. (CN) 2024-01-16 US claimed
US-11873407-B2 Diketopyrrolopyrrole pigment compound having high weathering resistance and preparation method therof CINIC CHEMICALS (SHANGHAI) CO., LTD. (CN) 2024-01-16 US disclosed
US-20210179855-A1 DIKETOPYRROLOPYRROLE PIGMENT COMPOUND HAVING HIGH WEATHERING RESISTANCE, PREPARATION METHOD THERFOR, AND USE THEROF CINIC CHEMICALS (SHANGHAI) CO., LTD. (CN) 2021-06-17 US disclosed
EP-3733783-A1 DIKETOPYRROLOPYRROLE PIGMENT COMPOUND HAVING HIGH WEATHER RESISTANCE, PREPARATION METHOD THEREFOR AND USE THEREOF Cinic Chemicals Shanghai Co. Ltd. (CN) 2020-11-04 EP disclosed