SCHEMBL27717643

SCHEMBL27717643

CN(C)C=Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
LMNA P02545 3/20 0.47
RECQL P46063 2/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 6/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41

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
SCHEMBL27717692 0.76 APP (0.59) RAB9ALMNAALDH1A1KDM4EMAPT
SCHEMBL27411410 0.76 APP (0.64) RAB9ALMNAALDH1A1KDM4EMAPT
SCHEMBL11364848 0.76 MAPT (0.61) RAB9ALMNAALDH1A1CYP2C19HPGD
Hydrochloric Acid SCHEMBL17200380 0.76 NFE2L2 (0.48) RAB9ALMNAALDH1A1CYP2C19MAPT
SCHEMBL7412157 0.76 APP (0.59) CYP2C19APP
SCHEMBL6015209 0.76 ALDH1A1 (0.52) RAB9ALMNAALDH1A1KDM4EMAPT
SCHEMBL11363584 0.76 APP (0.59) CYP2C19APP
SCHEMBL11364849 0.76 MAPT (0.61) RAB9ALMNAALDH1A1CYP2C19HPGD
SCHEMBL6015208 0.76 ALDH1A1 (0.52) RAB9ALMNAALDH1A1KDM4EMAPT
SCHEMBL9679616 0.76 ALDH1A1 (0.61) RAB9AALDH1A1CYP2C19KDM4EHPGD

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
CN-101296906-A (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN disclosed