SCHEMBL9306901

SCHEMBL9306901

Clc1nc2cccc(-c3ccccc3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
LIMK1 P53667 1/20 0.41
CDK5 Q00535 1/20 0.41
ACVR1 Q04771 1/20 0.41
TNK2 Q07912 1/20 0.41
AURKB Q96GD4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CYP2A6 P11509 1/20 0.41
FEN1 P39748 2/20 0.40
KDM4E B2RXH2 4/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 3/20 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
SCHEMBL11260282 0.86 ALDH1A1 (0.40) KDM4ENPC1RAB9AALDH1A1CYP3A4
SCHEMBL17731650 0.81 KDM4E (0.46) AURKBKDM4EPKMNPC1RAB9A
SCHEMBL27761849 0.80 NPC1 (0.56) MAP4K4CSF1RFGFR1PDGFRALTK
SCHEMBL11707809 0.79 FGFR1 (0.49) MAP4K4CSF1RFGFR1PDGFRALTK
SCHEMBL7146757 0.79 NPC1 (0.55) KDM4ENPC1RAB9AGAAALDH1A1
SCHEMBL9306192 0.79 MAP4K4 (0.41) MAP4K4CSF1RFGFR1PDGFRALTK
SCHEMBL28293876 0.79 CDK4 (0.42) MAP4K4CSF1RFGFR1PDGFRALTK
SCHEMBL6883476 0.79 ADORA3 (0.53) MAP4K4CSF1RFGFR1PDGFRALTK
Water SCHEMBL28237887 0.79 NPC1 (0.55) MAP4K4CSF1RFGFR1PDGFRALTK
SCHEMBL230980 0.77 NPC1 (0.49) MAP4K4CSF1RFGFR1PDGFRALTK

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
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed