SCHEMBL19558136

SCHEMBL19558136

CSc1nc2cc(F)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.51
OPRL1 P41146 1/20 0.47
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MAPK13 O15264 5/20 0.41
MAPK12 P53778 5/20 0.41
MAPK11 Q15759 5/20 0.41
MAPK14 Q16539 5/20 0.41
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38

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
SCHEMBL20683082 0.86 HPGD (0.65) SMN1; SMN2HPGDALDH1A1OPRL1MEN1
SCHEMBL20821457 0.82 RAB9A (0.42) SMN1; SMN2HPGDALDH1A1OPRL1MEN1
SCHEMBL4597359 0.80 ALDH1A1 (0.53) SMN1; SMN2HPGDALDH1A1OPRL1MEN1
SCHEMBL1170649 0.79 KDM4E (0.52) SMN1; SMN2HPGDALDH1A1NPSR1NPC1
SCHEMBL6261732 0.79 SMN1; SMN2 (0.75) SMN1; SMN2HPGDALDH1A1OPRL1MEN1
SCHEMBL17076824 0.79 ALDH1A1 (0.51) SMN1; SMN2HPGDALDH1A1OPRL1MEN1
SCHEMBL11098104 0.78 HPGD (0.47) SMN1; SMN2HPGDALDH1A1OPRL1MEN1
SCHEMBL3828091 0.78 OPRL1 (0.60) SMN1; SMN2HPGDALDH1A1OPRL1MEN1
SCHEMBL1101910 0.76 CYP2C19 (0.54) SMN1; SMN2HPGDALDH1A1MEN1MAPT
SCHEMBL10847753 0.76 RAB9A (0.47) SMN1; SMN2HPGDALDH1A1OPRL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11552266-B2 Electrodes for electronic devices comprising an organic semiconducting layer FLEXENABLE LIMITED (GB) 2023-01-10 US disclosed
US-20200274086-A1 ELECTRODES FOR ELECTRONIC DEVICES COMPRISING AN ORGANIC SEMICONDUCTING LAYER FLEXENABLE LIMITED (GB) 2020-08-27 US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed