SCHEMBL11787516

SCHEMBL11787516

COc1ccc(-n2ncc(N(C)N)c(Cl)c2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.70
▸ NPC1 O15118 3/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ S1PR4 O95977 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ S1PR1 P21453 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ PAX8 Q06710 1/20 0.67
▸ NPBWR1 P48145 14/20 0.60
▸ MCHR1 Q99705 7/20 0.60
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ NPSR1 Q6W5P4 4/20 0.55
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL11787743 0.86 RAB9A (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR4
SCHEMBL11732577 0.85 RAB9A (0.79) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR4
SCHEMBL11726417 0.83 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR4
SCHEMBL11731952 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR4
SCHEMBL11728795 0.80 SMN1; SMN2 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR4
SCHEMBL11789137 0.80 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR4
SCHEMBL11729328 0.77 RAB9A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR4
SCHEMBL11785004 0.75 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR4
SCHEMBL11730721 0.74 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR4
SCHEMBL11794415 0.74 GAA (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR4

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-4002751-A SLEEP INDUCERS, CNS DEPRESSANTS SANDOZ, INC. (US) 1977-01-11 — — US disclosed
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