SCHEMBL9702849

SCHEMBL9702849

O=C(CSc1ccncc1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 1/20 0.57
LTA4H P09960 1/20 0.53
HSD11B1 P28845 2/20 0.51
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 3/20 0.48
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL13182758 0.83 KMT2A (0.60) ALDH1A1NPC1RAB9AHPGDHSD17B10
SCHEMBL9787096 0.83 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AHPGDHSD17B10
SCHEMBL28504230 0.83 CA1 (0.62) ALDH1A1NPC1RAB9AHPGDHSD17B10
SCHEMBL6826773 0.80 KMT2A (0.60) ALDH1A1NPC1RAB9AHPGDHSD17B10
SCHEMBL13006685 0.80 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL9725094 0.74 NPC1 (0.59) ALDH1A1NPC1RAB9AHPGDHSD17B10
SCHEMBL2645324 0.74 LTA4H (0.58) ALDH1A1NPC1RAB9ALTA4HMAPK1
SCHEMBL11771528 0.73 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AHPGDHSD17B10
Hydrochloric Acid SCHEMBL5253545 0.72 LTA4H (0.56) ALDH1A1NPC1RAB9ALTA4HMAPK1
SCHEMBL25311154 0.72 HDAC4 (0.60)

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-1992012154-A1 IMIDAZOTRIAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-23 WO disclosed