SCHEMBL2146975

SCHEMBL2146975

Cc1nc2ccccc2[nH]1.[Ti]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
POLB P06746 3/20 0.64
ALDH1A1 P00352 9/20 0.58
NPSR1 Q6W5P4 4/20 0.58
KDM4E B2RXH2 4/20 0.58
HSD17B10 Q99714 3/20 0.58
TP53 P04637 2/20 0.58
ABCB11 O95342 1/20 0.58
PKM P14618 1/20 0.58
MASP2 O00187 1/20 0.54
NUDT1 P36639 1/20 0.54
AOC3 Q16853 1/20 0.54
DDAH1 O94760 1/20 0.53
HPGD P15428 5/20 0.53
HTT P42858 1/20 0.53
PARP1 P09874 1/20 0.52

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
SCHEMBL111276 0.98 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29391888 0.98 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL28373101 0.95 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL32682822 0.95 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrogen Sulfide SCHEMBL3740855 0.95 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8422522 0.95 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3713896 0.95 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Water SCHEMBL3067921 0.95 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL28358936 0.95 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Bromide SCHEMBL28144776 0.95 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-2011088990-A1 ETHYLENE POLYMERISATION SAUDI BASIC INDUSTRIES CORPORATION (SABIC) (SA) 2011-07-28 WO disclosed