SCHEMBL18901252

SCHEMBL18901252

CC(C)(C)OCNc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.49
▸ NAMPT P43490 3/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL13437370 0.77 RAB9A (0.53) RAB9ANAMPTLTA4HNPC1ALDH1A1
SCHEMBL13423753 0.74 RAB9A (0.50) RAB9ANAMPTLTA4HNPC1ALDH1A1
SCHEMBL1355489 0.74 — —
SCHEMBL10758682 0.73 NAMPT (0.52) RAB9ANAMPTNPC1KDM4ESMN1; SMN2
SCHEMBL27610614 0.72 RAB9A (0.49) RAB9ALTA4HNPC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28089121 0.72 RAB9A (0.56) RAB9ALTA4HNPC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10704335 0.72 RAB9A (0.56) RAB9ALTA4HNPC1KDM4EALDH1A1
SCHEMBL3643530 0.71 RAB9A (0.54) RAB9ALTA4HNPC1ALDH1A1POLB
SCHEMBL7283777 0.70 KCNH3 (0.53) RAB9ALTA4HNPC1KDM4EALDH1A1
SCHEMBL12622711 0.70 CA12 (0.50) RAB9ANAMPTNPC1SMN1; SMN2POLB

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
EP-2274983-B1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-05-31 — — EP disclosed
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