SCHEMBL8487044

SCHEMBL8487044

COc1cc(N)c2c(c1)NCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ THRB P10828 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ RECQL P46063 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HTR5A P47898 2/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ ADRB1 P08588 1/20 0.33
▸ ACHE P22303 1/20 0.32

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
SCHEMBL6646783 0.80 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDMTNR1A
SCHEMBL30550497 0.80 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDMTNR1A
SCHEMBL7038840 0.73 NOTUM (0.42) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL14611924 0.72 KDM4E (0.44) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL7037999 0.72 NUDT1 (0.33) NUDT1PARP1NOTUM
SCHEMBL25390183 0.70 PARP1 (0.40) ALDH1A1KDM4EADRB1NUDT1PARP1
SCHEMBL30471909 0.70 PARP1 (0.40) ALDH1A1KDM4EADRB1NUDT1PARP1
SCHEMBL31161318 0.69 EGFR (0.32) ALDH1A1MAPTKDM4EHPGDMTNR1A
SCHEMBL30504563 0.69 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL25403841 0.69 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A

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-5919469-A Products derived from 2-imino-2,3-dihydro-1H-indoles, processes for their preparation, their use in cosmetics and cosmetic compositions using them L'OREAL (FR) 1999-07-06 — — US disclosed
EP-0825220-A1 Products derived from 2-imino-2,3-dihydro-1H-indoles, processes of preparation, use in cosmetics and cosmetic compositions using them L'OREAL (FR) 1998-02-25 — — EP disclosed
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