SCHEMBL11199441

SCHEMBL11199441

O=c1[nH]c2cccc(Cl)c2n1CCCCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DPP4 P27487 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
OPRM1 P35372 2/20 0.41
CALCRL Q16602 1/20 0.40
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL11193325 0.87 ALDH1A1 (0.57) PSMB8POLBALDH1A1LMNAHPGD
SCHEMBL11506601 0.80 ALDH1A1 (0.50) PSMB8ALDH1A1LMNAHPGDHTT
SCHEMBL11506597 0.79 POLB (0.41) PSMB8POLBALDH1A1LMNAHPGD
SCHEMBL16787432 0.77 LMNA (0.42) PSMB8ALDH1A1LMNAHPGDHTT
SCHEMBL318787 0.76 LMNA (0.69) POLBALDH1A1LMNAHPGDHTT
SCHEMBL30277537 0.76 LMNA (0.69) POLBALDH1A1LMNAHPGDHTT
SCHEMBL738416 0.76 HTR7 (0.47) ALDH1A1HPGDOPRM1ADRA1BKDM4E
SCHEMBL3726734 0.76 KDM4E (0.40) POLBALDH1A1LMNAHPGDHTT
SCHEMBL5112012 0.74 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2MAPK1MAPT
SCHEMBL11196807 0.74 P2RX7 (0.71) LMNAOPRM1ADRA1AADRA1BOPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4377578-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1983-03-22 US disclosed
US-4250176-A BENZIMIDAZOLE-2-ONE, BENZOTHIAZOL-2-ONE, OR BENZOXAZOL-2-ONE SUBSTITUTIONS, ANTIANAPHALACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1981-02-10 US disclosed
US-4200641-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-04-29 US disclosed