SCHEMBL7591978

SCHEMBL7591978

c1ccc(CN2CCC(CSc3nc4ccccc4n3-c3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CCR3 P51677 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
CXCR4 P61073 1/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
SSTR5 P35346 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL9537056 0.80 CCR3 (0.56) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL4926363 0.75 PDE7A (0.68) PDE7AMEN1KMT2AMAPK1TSHR
SCHEMBL8552311 0.73 CCR3 (0.63) ALDH1A1CCR3MAPTCXCR4ACHE
Hydrochloric Acid SCHEMBL8550641 0.72 CCR3 (0.61) ALDH1A1CCR3MAPTCXCR4BCHE
SCHEMBL5626341 0.70 MEN1 (0.66) MEN1KMT2ATSHRALDH1A1NPSR1
Hydrochloric Acid SCHEMBL11792992 0.70 LMNA (0.52) MEN1KMT2ATSHRSSTR5ACHE
SCHEMBL4491722 0.69 ACHE (0.45) CCR3CYP3A4BCHEACHE
SCHEMBL8363511 0.68 POLB (0.60) PDE7ATSHRALDH1A1CYP1A2CYP2C19
SCHEMBL12116720 0.68 MAPK1 (0.59) MEN1KMT2AMAPK1TSHRUSP2
SCHEMBL12116727 0.68 MAPK1 (0.59) MEN1KMT2AMAPK1TSHRUSP2

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
WO-1998004546-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTICAL USES THEREOF SYNTHELABO (FR) 1998-02-05 WO disclosed