SCHEMBL11558486

SCHEMBL11558486

NCCn1c(-c2ccccc2)cc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 2/20 0.56
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
BACE1 P56817 4/20 0.46
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
NTRK1 P04629 1/20 0.43
NTRK3 Q16288 1/20 0.43
APP P05067 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.41

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 SCHEMBL11555475 0.98 ALDH1A1 (0.63) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11689282 0.90 ALDH1A1 (0.61) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL21246048 0.87 ALDH1A1 (0.58) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL7487086 0.86 ALDH1A1 (0.65) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11505491 0.83 ALDH1A1 (0.69) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11660383 0.83 ALDH1A1 (0.65) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11655066 0.83 ALDH1A1 (0.65) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11656877 0.83 ALDH1A1 (0.65) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11656014 0.80 ALDH1A1 (0.61) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL9040161 0.80 ALDH1A1 (0.61) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B

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
US-4139634-A ANTIDEPRESSANTS, ANTIAGGRESSION AGENTS, ANESTHETICS LABAZ (FR) 1979-02-13 US disclosed