SCHEMBL11790187

SCHEMBL11790187

CC1=CC(=Nc2ccc(N(C)C)cc2)C(N)=CC1=N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.50
▸ ALDH1A1 P00352 11/20 0.39
▸ TDP1 Q9NUW8 7/20 0.39
▸ MAPK1 P28482 6/20 0.39
▸ TSHR P16473 5/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ ADRA2A P08913 3/20 0.38
▸ ADRA2B P18089 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ TP53 P04637 3/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ NSD2 O96028 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36

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
Hydrochloric Acid SCHEMBL11798958 0.98 PABPC1 (0.49) PABPC1ALDH1A1TDP1MAPK1TSHR
SCHEMBL11584573 0.84 PABPC1 (0.42) PABPC1ALDH1A1TDP1MAPK1TSHR
SCHEMBL11794810 0.81 NOS3 (0.34) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL11587993 0.80 PABPC1 (0.32) PABPC1
SCHEMBL13525221 0.75 PABPC1 (0.42) PABPC1ALDH1A1TDP1MAPK1TSHR
SCHEMBL11586319 0.74 PABPC1 (0.46) PABPC1ALDH1A1TDP1MAPK1TSHR
SCHEMBL11316017 0.73 PABPC1 (0.61) PABPC1ALDH1A1TDP1MAPK1TSHR
SCHEMBL29423636 0.72 PABPC1 (0.69) PABPC1ALDH1A1TDP1MAPK1TSHR
SCHEMBL20280495 0.72 PABPC1 (0.69) PABPC1ALDH1A1TDP1MAPK1TSHR
SCHEMBL13525208 0.72 PABPC1 (0.56) PABPC1ALDH1A1TDP1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3989447-A Process for nonpermanently dyeing human hair with indamine indoaniline and indophenol hair dyes SOCIETE ANONYME DITE: L'OREAL (FR) 1976-11-02 — — US disclosed
US-3946033-A FROM GLYCINE DERIVATIVE, PRIMARY AMINE, DIARYL CARBONATE TEIJIN LTD. (JA) 1976-03-23 — — US disclosed
Send feedback