SCHEMBL31172011

SCHEMBL31172011

Clc1ccc(CNC2CC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42

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
SCHEMBL3217424 1.00 KDM1A (0.57) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL4736629 0.93 POLB (0.60) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL2584901 0.92 POLB (0.58) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL3985988 0.82 KDM1A (0.48) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL26944359 0.79 KDM4E (0.49) KDM4EGAAPOLBALDH1A1MEN1
SCHEMBL2644041 0.79 MEN1 (0.46) KDM4EPOLBALDH1A1MEN1RAB9A
SCHEMBL9279836 0.77 GAA (0.63) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL10073807 0.76 MEN1 (0.69) KDM4EPOLBALDH1A1MEN1RAB9A
SCHEMBL3236686 0.75 POLB (0.81) KDM1AMAOAMAOBGAAPOLB
SCHEMBL19650812 0.75 KDM1A (0.59) KDM1AMAOAMAOBKDM4EPOLB

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-118852154-A Carboxamide substituted hetero tricyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-10-29 CN disclosed