SCHEMBL16814952

SCHEMBL16814952

NCc1ccccc1N1CCSCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.57
▸ LGMN Q99538 2/20 0.43
▸ CYP2A13 Q16696 1/20 0.42
▸ KDM1A O60341 2/20 0.39
▸ TPH1 P17752 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PNMT P11086 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ MC4R P32245 1/20 0.36

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
SCHEMBL27834649 0.86 NCF1 (0.71) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL16814882 0.82 NCF1 (0.77) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL111729 0.82 NCF1 (0.72) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL110730 0.81 NCF1 (0.70) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL16814951 0.81 NCF1 (0.70) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL27585360 0.79 NCF1 (0.58) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL28294095 0.78 NCF1 (0.56) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL111193 0.78 NCF1 (0.57) NCF1LGMNCYP2A13ALDH1A1RAB9A
SCHEMBL110927 0.78 NCF1 (0.87) NCF1KDM4EHTR1A
SCHEMBL29505669 0.78 NCF1 (0.87) NCF1KDM4EHTR1A

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-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 — — WO disclosed
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