SCHEMBL9706440

SCHEMBL9706440

c1ccc(NCCCCc2cccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.63
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PTAFR P25105 2/20 0.54
HRH1 P35367 2/20 0.54
TBXAS1 P24557 7/20 0.54
CHRNA7 P36544 1/20 0.53
CYP2A6 P11509 1/20 0.53
KDM6B O15054 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
GBA1 P04062 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL5307781 0.88 LTA4H (0.69) LTA4HL3MBTL1CHRNA7GBA1ALDH1A1
SCHEMBL10734968 0.86 ALDH1A1 (0.66) LTA4HTDP1L3MBTL1PTAFRHRH1
SCHEMBL6159259 0.83 SIGMAR1 (0.67) TDP1L3MBTL1PTAFRHRH1TBXAS1
SCHEMBL9706520 0.83 ALDH1A1 (0.53) LTA4HL3MBTL1KDM6BKDM4CALDH1A1
SCHEMBL3465634 0.82 L3MBTL1 (0.69) L3MBTL1ALDH1A1MAPT
SCHEMBL8199794 0.82 TDP1 (0.71) TDP1L3MBTL1PTAFRHRH1TBXAS1
SCHEMBL6161198 0.82 SIGMAR1 (0.68) TDP1L3MBTL1PTAFRHRH1
SCHEMBL6160313 0.82 SIGMAR1 (0.68) TDP1L3MBTL1PTAFRHRH1
SCHEMBL6191025 0.81 KCNH3 (0.58) L3MBTL1HRH1KDM6BKDM4CALDH1A1
SCHEMBL12040598 0.81 HRH1 (0.72) TDP1L3MBTL1HRH1TBXAS1CHRNA7

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
EP-0198325-B1 SUBSTITUTED ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-07-15 EP disclosed
US-4891429-A CHEMICAL INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1990-01-02 US disclosed
US-4696930-A CARDIOVASCULAR DISORDERS, ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1987-09-29 US disclosed
EP-0198325-A2 Substituted aniline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1986-10-22 EP disclosed