SCHEMBL11097997

SCHEMBL11097997

O=c1[nH]c2cc(Cl)c(Cl)cc2n1CCBr

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
LMNA P02545 2/20 0.66
CYP1A2 P05177 2/20 0.66
TSHR P16473 2/20 0.66
BLM P54132 2/20 0.66
PMP22 Q01453 2/20 0.66
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
NFKB1 P19838 1/20 0.66
GRIA1 P42261 7/20 0.50
GRIA2 P42262 7/20 0.50
GRIA3 P42263 7/20 0.50
GRIA4 P48058 7/20 0.50
GRIN2D O15399 5/20 0.47
GRIN3B O60391 5/20 0.47
GRIN1 Q05586 5/20 0.47
GRIN2A Q12879 5/20 0.47
GRIN2B Q13224 5/20 0.47

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
SCHEMBL11096920 0.90 LMNA (0.62) MEN1LMNACYP1A2TSHRBLM
SCHEMBL11100296 0.83 MEN1 (0.66) MEN1LMNACYP1A2TSHRBLM
SCHEMBL11099056 0.81 LMNA (0.62) MEN1LMNACYP1A2TSHRBLM
SCHEMBL29701185 0.79 CYP1A2 (1.00) MEN1LMNACYP1A2TSHRBLM
SCHEMBL612079 0.79 CYP1A2 (1.00) MEN1LMNACYP1A2TSHRBLM
SCHEMBL11506711 0.74 MEN1 (0.57) MEN1LMNACYP1A2TSHRBLM
SCHEMBL11506715 0.73 LMNA (0.56) MEN1LMNACYP1A2TSHRBLM
SCHEMBL15730579 0.73 GRIA1 (0.68) MEN1LMNACYP1A2TSHRBLM
SCHEMBL30546561 0.72 LMNA (0.64) MEN1LMNACYP1A2TSHRKMT2A
SCHEMBL7143500 0.72 LMNA (0.64) MEN1LMNACYP1A2TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037713-B1 NOVEL 1,3-DIHYDRO-1-((1-PIPERIDINYL)ALKYL)-2H-BENZIMIDAZOL-2-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-02-08 EP disclosed
US-4254127-A ANTIEMETIC, NEUROLIPTIC AND ANTICONGESTIVE AGENT JANSSEN PHARMACEUTICA, N.V. (BE) 1981-03-03 US disclosed