SCHEMBL11207995

SCHEMBL11207995

O=C(OC1CCNCC1)C(c1noc2ccccc12)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
VKORC1 Q9BQB6 2/20 0.34
SMO Q99835 1/20 0.34
CYP19A1 P11511 1/20 0.33
CHRM3 P20309 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
SCHEMBL11209018 0.86 HIF1A (0.42) HIF1AMEN1KMT2ATSHRCHRM3
SCHEMBL11210963 0.81 HIF1A (0.52) HIF1AMEN1KMT2ANPC1RAB9A
Bromide SCHEMBL11206144 0.81 HIF1A (0.39) HIF1AMEN1KMT2ARAB9ATSHR
SCHEMBL11205449 0.76 TSHR (0.47) HIF1AKMT2ATSHR
SCHEMBL11209786 0.74 CYP3A4 (0.64) HIF1AMEN1KMT2ATSHRCHRM3
SCHEMBL11209847 0.73 HIF1A (0.41) HIF1A
SCHEMBL11207790 0.73 HTR1F (0.39) MEN1KMT2ATSHR
SCHEMBL11208075 0.73 CYP3A4 (0.44) HIF1ATSHRVKORC1
SCHEMBL11206692 0.73 CHRM2 (0.59) HIF1AMEN1KMT2ATSHRNPSR1
Bromide SCHEMBL11210620 0.72 CHRM2 (0.58) HIF1AMEN1KMT2ATSHRNPSR1

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-0094833-A2 Novel 1,2-benzisoxazole derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1983-11-23 EP disclosed