SCHEMBL11552829

SCHEMBL11552829

COc1cc(Cl)ccc1C(=O)CCCCCBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 2/20 0.48
HDAC8 Q9BY41 2/20 0.46
HDAC1 Q13547 2/20 0.46
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
HTR4 Q13639 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
SCHEMBL8567731 0.89 HTR2A (0.53) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL8575954 0.89 HTR2A (0.53) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL8572360 0.86 HTR2A (0.54) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL8537739 0.84 RAB9A (0.56) MEN1KMT2AHDAC8HDAC1THRA
SCHEMBL1435371 0.82 HPGDS (0.54) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL31605249 0.82 HPGDS (0.54) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL11653400 0.82 THRB (0.47) MEN1KMT2APOLBHDAC8HDAC1
SCHEMBL11654830 0.82 THRB (0.47) MEN1KMT2APOLBHDAC8HDAC1
SCHEMBL2558521 0.81 ALDH1A1 (0.47) MEN1KMT2APOLBHDAC8HDAC1
SCHEMBL1441802 0.81 KMT2A (0.49) MEN1KMT2AHDAC8HDAC1HTR4

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-4171378-A INSECTICIDES, VIRICIDES STERLING DRUG INC. (US) 1979-10-16 US disclosed