SCHEMBL7854191

SCHEMBL7854191

C#CCNC(=O)c1c(Cl)cccc1[Si](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.43
P2RX7 Q99572 2/20 0.42
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
ALDH2 P05091 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
ABL1 P00519 1/20 0.38
MAPT P10636 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
SCHEMBL7855605 0.87 HPGD (0.43) ALDH1A1HPGDPOLBP2RX7RAB9A
SCHEMBL7224446 0.85 HPGD (0.46) ALDH1A1HPGDPOLBP2RX7RAB9A
SCHEMBL7225313 0.84 CA12 (0.38) ALDH1A1RAB9ACA12CA1CA2
SCHEMBL7217423 0.84 CA12 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL7846596 0.84 HPGD (0.45) ALDH1A1HPGDPOLBP2RX7RAB9A
SCHEMBL7845245 0.82 POLB (0.46) ALDH1A1HPGDPOLBP2RX7RAB9A
SCHEMBL7846577 0.82 SMN1; SMN2 (0.54) ALDH1A1HPGDPOLBP2RX7RAB9A
SCHEMBL7846580 0.81 POLB (0.45) ALDH1A1HPGDPOLBP2RX7RAB9A
SCHEMBL7856328 0.81 HPGD (0.43) ALDH1A1HPGDPOLBP2RX7RAB9A
SCHEMBL7853566 0.81 SMN1; SMN2 (0.44) ALDH1A1HPGDPOLBP2RX7RAB9A

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
EP-1088481-A2 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2001-04-04 EP disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 EP disclosed