SCHEMBL11495035

SCHEMBL11495035

c1ccc(NCCCn2ccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 3/20 0.67
▸ QPCT Q16769 6/20 0.64
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ ATM Q13315 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.57
▸ GSK3A P49840 1/20 0.57
▸ GSK3B P49841 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CYP19A1 P11511 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL18457438 0.90 QPCT (0.56) SOD1QPCTNPC1RAB9AATM
SCHEMBL27418532 0.86 HMOX1 (0.61) SOD1QPCTNPC1RAB9AATM
SCHEMBL2539814 0.86 SOD1 (0.57) SOD1QPCTNPC1RAB9AATM
Hydrochloric Acid SCHEMBL5191266 0.84 SOD1 (0.56) SOD1QPCTNPC1RAB9AATM
SCHEMBL5903394 0.83 NPC1 (0.55) SOD1QPCTNPC1RAB9AATM
SCHEMBL4138098 0.83 SOD1 (0.54) SOD1QPCTNPC1RAB9AATM
SCHEMBL5551707 0.82 SOD1 (0.53) SOD1QPCTNPC1RAB9AATM
SCHEMBL20490589 0.81 QPCT (0.60) SOD1QPCTNPC1RAB9AATM
SCHEMBL7970502 0.80 QPCT (0.63) SOD1QPCTNPC1RAB9AATM
SCHEMBL5189230 0.80 QPCT (0.69) SOD1QPCTNPC1RAB9AATM

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-4215220-A 1-(2-Oxysubstituted-3-anilinopropyl)-imidazoles CILAG-CHEMIE A.G. (CH) 1980-07-29 — — US disclosed
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