SCHEMBL8428276

SCHEMBL8428276

CC1=C(Cc2nnn[nH]2)c2c3ccc([N+](=O)[O-])c2C(c2ccc(Cl)cc2)=C13

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
HSD11B1 P28845 1/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8430715 0.85 IKBKB (0.32)
SCHEMBL8430781 0.83 IKBKB (0.33)
SCHEMBL8428611 0.82
SCHEMBL8428371 0.82 MAPT (0.39) MAPTHPGDNPSR1LMNASMN1; SMN2
SCHEMBL8428278 0.68 AMY1A (0.42) MAPTHPGDNPSR1LMNASMN1; SMN2
SCHEMBL8428247 0.67 KMT2A (0.36) MAPTHPGDSMN1; SMN2
SCHEMBL6505678 0.64 NR1H2 (0.41) MAPTLMNA
SCHEMBL8430303 0.63 MEN1 (0.40) MAPTHPGDNPSR1LMNASMN1; SMN2
SCHEMBL9057515 0.61 AR (0.50) HPGD
SCHEMBL4836695 0.61 POLB (0.51) MAPTLMNASMN1; SMN2

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