SCHEMBL11600960

SCHEMBL11600960

Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 5/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.38
NR2F2 P24468 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
SCHEMBL11313311 0.89 MAPT (0.59) KMT2AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11601176 0.85 KMT2A (0.52) KMT2AMAPTCYP1A2CYP2C9MEN1
SCHEMBL11601247 0.82 KMT2A (0.50) KMT2AMAPTCYP1A2CYP2C9MEN1
SCHEMBL11602907 0.81 MAPT (0.48) KMT2AMAPTCYP1A2CYP2C19RAB9A
SCHEMBL11601121 0.78 LMNA (0.56) KMT2AMAPTPOLBTP53LMNA
SCHEMBL28519521 0.77 KMT2A (0.35) KMT2AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11602961 0.76 MAPT (0.54) KMT2AMAPTCYP2C9CYP2C19MEN1
SCHEMBL11404290 0.76 KMT2A (0.41) KMT2AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28388499 0.76 KMT2A (0.41) KMT2AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11601679 0.75 NPC1 (0.41) KMT2AMAPTMEN1RAB9ASMN1; 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-4070536-A Process for the preparation of 4-benzoylpyrazole derivatives SANKYO COMPANY LIMITED (JA) 1978-01-24 US disclosed