SCHEMBL22265474

SCHEMBL22265474

O=C(O)N1CCC(c2nc(-c3ccc(Nc4cc(Br)ccc4Br)nc3)no2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.44
DGAT1 O75907 1/20 0.43
GRM5 P41594 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CLPP Q16740 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41

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
SCHEMBL22265471 1.00 HSD11B1 (0.44) HSD11B1DGAT1GRM5MEN1KMT2A
SCHEMBL22280492 0.89 SPHK2 (0.41) HSD11B1DGAT1GRM5MEN1KMT2A
Hydrochloric Acid SCHEMBL22265583 0.88 SPHK2 (0.40) HSD11B1DGAT1GRM5MEN1KMT2A
Hydrochloric Acid SCHEMBL22265586 0.88 SPHK2 (0.40) HSD11B1DGAT1GRM5MEN1KMT2A
SCHEMBL29522926 0.88 HDAC6 (0.43) HSD11B1DGAT1ALDH1A1SMN1; SMN2
SCHEMBL22265594 0.83 HSD11B1 (0.52) HSD11B1DGAT1GRM5ALDH1A1SMN1; SMN2
SCHEMBL22265591 0.83 HSD11B1 (0.52) HSD11B1DGAT1GRM5ALDH1A1SMN1; SMN2
SCHEMBL22265688 0.83 SMO (0.38) HSD11B1DGAT1GRM5ALDH1A1SMN1; SMN2
SCHEMBL22265686 0.83 SMO (0.38) HSD11B1DGAT1GRM5ALDH1A1SMN1; SMN2
SCHEMBL22265691 0.83 SMO (0.38) HSD11B1DGAT1GRM5ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914592-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY University of Virginia Patent Foundation (US) 2021-12-01 EP disclosed
WO-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed