SCHEMBL3354746

SCHEMBL3354746

O=C(O)Cn1nc(CBr)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.61
ALOX15 P16050 2/20 0.52
TSHR P16473 1/20 0.51
GLA P06280 1/20 0.49
KDM4E B2RXH2 3/20 0.49
CMA1 P23946 2/20 0.48
AKR1B1 P15121 2/20 0.46
HPGD P15428 2/20 0.45
APEX1 P27695 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ROCK1 Q13464 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL6451102 0.83 HSD17B10 (0.60) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL31481214 0.81 HSD17B10 (0.65) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL22061005 0.81 HSD17B10 (0.57) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL14631512 0.79 HSD17B10 (0.67) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL3905353 0.79 HSD17B10 (0.67) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL19236720 0.79 HSD17B10 (0.55) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL3354784 0.78 ELANE (0.42) HSD17B10KDM4E
SCHEMBL3354341 0.78 HSD17B10 (0.65) HSD17B10ALOX15GLAKDM4EHPGD
SCHEMBL28726087 0.78 HSD17B10 (0.65) HSD17B10ALOX15TSHRGLAKDM4E
SCHEMBL8426442 0.78 CNR1 (0.55) HSD17B10ALOX15KDM4EAKR1B1HPGD

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
WO-2010067233-A1 1,2,4 TRIAZOLO [4, 3 -A] [1,5] BENZODIAZEPIN-5 (6H) -ONES AS AGONISTS OF THE CHOLECYSTOKININ-1 RECEPTOR (CCK-IR) PFIZER INC. (US) 2010-06-17 WO disclosed