SCHEMBL8968607

SCHEMBL8968607

N=c1c2cc(Cl)c(Cl)cc2nc2n1CCCCC2

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.71
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8969447 0.98 ACHE (0.68) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968881 0.83 ACHE (0.80) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968366 0.83 ACHE (1.00) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969076 0.82 ACHE (0.63) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969409 0.82 ACHE (0.63) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968733 0.81 ACHE (0.97) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8969679 0.81 ACHE (0.78) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969258 0.81 ACHE (0.60) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968476 0.79 ACHE (0.59) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969117 0.77 ACHE (0.71) ACHEMEN1KMT2AHDAC6ALDH1A1

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed