SCHEMBL18034003

SCHEMBL18034003

CC(C)(C)n1ncc(OCc2ccc(OCCCCO)nc2)c(Cl)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ GPR183 P32249 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPK1 P28482 3/20 0.35
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL16998545 0.91 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL16998539 0.90 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL26848566 0.90 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL16901883 0.90 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL15566227 0.89 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL16903743 0.89 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL3409477 0.88 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL16998541 0.86 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL16998544 0.86 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL18649663 0.86 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ALMNAKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3058960-B1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER HAMAMATSU PHOTONICS KK (JP) 2023-08-30 — — EP disclosed
EP-4223321-A1 AGENT FOR DETECTING INTERACTION BETWEEN TISSUES AND ORGANS Hamamatsu Photonics K.K. (JP) 2023-08-09 — — EP disclosed
US-9872928-B2 Diagnostic agent for therapeutic effect on cancer HAMAMATSU PHOTONICS K.K. (JP) 2018-01-23 — — US disclosed
US-9598399-B2 Compound suitable for detection of mitochondrial complex-1 HAMAMATSU PHOTONICS K.K. (JP) 2017-03-21 — — US disclosed
EP-3058960-A1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER Hamamatsu Photonics K.K. (JP) 2016-08-24 — — EP disclosed
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