SCHEMBL7361803

SCHEMBL7361803

O=C(c1cccc2c1ncn2CCCCCl)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 3/20 0.41
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
BRD9 Q9H8M2 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
SCHEMBL7356719 0.90 HPGD (0.44) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7359893 0.88 KMT2A (0.43) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL7358498 0.84 SMN1; SMN2 (0.39) HDAC1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL7360074 0.81 SIGMAR1 (0.42) HDAC1HDAC6ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL7350285 0.80 SIGMAR1 (0.41) HDAC1HDAC6ALDH1A1HSD17B10KDM4E
SCHEMBL7355990 0.80 EGLN3 (0.40) ALDH1A1KDM4ESMN1; SMN2TSHRHTT
Hydrochloric Acid SCHEMBL7357414 0.78 PRPS1 (0.38) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7353986 0.75 KDM4E (0.36) HDAC1HDAC6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7355082 0.73 EGLN1 (0.45) ALDH1A1HSD17B10KDM4EMEN1HPGD
SCHEMBL7358428 0.73 EGLN1 (0.40) ALDH1A1KDM4ENPSR1SMN1; SMN2TP53

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-1995003298-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS DOPAMINE RECEPTOR ANTAGONIST, 5-HT RECEPTOR AGONIST OR α1 RECEPTOR ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-02 WO disclosed