SCHEMBL7727602

SCHEMBL7727602

COc1cc(-c2ccccn2)cc(OC)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 4/20 0.46
G6PD P11413 1/20 0.45
CCR1 P32246 2/20 0.44
CCR5 P51681 2/20 0.44
CCR8 P51685 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
POLB P06746 4/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
PPP1CA P62136 4/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 2/20 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
SCHEMBL12317970 0.84 ALDH1A1 (0.65) ERN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL29496942 0.84 ALDH1A1 (0.65) ERN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL21289970 0.83 DYRK1A (0.55) ERN1MAPTALDH1A1NPC1LMNA
SCHEMBL27539112 0.83 ERN1 (0.74) ERN1MAPTALDH1A1NPC1LMNA
SCHEMBL29496946 0.81 MEN1 (0.56) ERN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL5797361 0.81 MEN1 (0.56) ERN1MAPTALDH1A1NPC1SMN1; SMN2
Formaldehyde SCHEMBL28904788 0.80 ALDH1A1 (0.60) ERN1MAPTALDH1A1NPC1LMNA
SCHEMBL29901547 0.80 KMO (0.53) ERN1MAPTALDH1A1NPC1LMNA
SCHEMBL31432885 0.79 ERN1 (0.53) ERN1MAPTALDH1A1NPC1LMNA
Formaldehyde SCHEMBL28904777 0.77 ERN1 (0.55) ERN1MAPTALDH1A1NPC1SMN1; SMN2

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-6395753-B1 ANTIHISTAMINES, ANTIALLERGENS, ANTIARTHRITIC AGENTS KOWA CO., LTD. (JP) 2002-05-28 US disclosed