SCHEMBL11763590

SCHEMBL11763590

NCCCOc1ccccc1OCCCN

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.73
HTR1B P28222 2/20 0.67
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
JAK2 O60674 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SSTR2 P30874 1/20 0.47
SSTR4 P31391 1/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6649844 0.89 L3MBTL1 (0.67) KDM4EHTR1BL3MBTL1MAPTMAPK1
SCHEMBL17334590 0.89 L3MBTL1 (0.67) KDM4EHTR1BL3MBTL1MAPTRAB9A
Hydrochloric Acid SCHEMBL4383401 0.87 L3MBTL1 (0.65) KDM4EHTR1BL3MBTL1MAPTMAPK1
SCHEMBL8834938 0.86 KDM4E (0.95) KDM4EHTR1BL3MBTL1MAPTTP53
SCHEMBL31050988 0.86 KDM4E (0.95) KDM4EHTR1BL3MBTL1MAPTTP53
SCHEMBL17334594 0.85 HTR1A (0.56) KDM4EHTR1BL3MBTL1MAPTMAPK1
SCHEMBL15923299 0.85 MEN1 (0.58) KDM4EHTR1BL3MBTL1MAPTLMNA
SCHEMBL11522977 0.85 KDM4E (0.55) KDM4EHTR1BTP53MAPK1RAB9A
Hydrochloric Acid SCHEMBL4372684 0.84 L3MBTL1 (0.61) KDM4EHTR1BL3MBTL1TP53MAPK1
SCHEMBL1249120 0.84 HTR1B (0.56) KDM4EHTR1BL3MBTL1MAPTMAPK1

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-4051166-A Araliphatic diisocyanates THE UPJOHN COMPANY (US) 1977-09-27 US disclosed