SCHEMBL8430303

SCHEMBL8430303

O=[N+]([O-])c1ccc2c3c(-c4ccc(Cl)cc4)c-3c(Cc3nnn[nH]3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
MAPT P10636 7/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPBWR1 P48145 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
MCL1 Q07820 1/20 0.39
PSD A5PKW4 6/20 0.35
SLC27A2 O14975 1/20 0.35
MAPK1 P28482 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL8430246 0.85 MAP2 (0.36) HPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL8430237 0.81 ESR1 (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4836695 0.67 POLB (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8430304 0.67 MAPT (0.36) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4605520 0.66 TSHR (0.50) MEN1KMT2AMAPTHTTHPGD
SCHEMBL4013435 0.66 MAPT (0.74) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8428278 0.65 AMY1A (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7487942 0.65 GPR17 (0.43)
SCHEMBL8428276 0.63 MAPT (0.31) MAPTHPGDLMNASMN1; SMN2NPSR1
SCHEMBL29595163 0.62 HSD17B10 (0.52) MEN1KMT2AMAPTLMNAALDH1A1

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
US-5965619-A ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION CELL PATHWAYS INC. (US) 1999-10-12 US disclosed