SCHEMBL27997802

SCHEMBL27997802

ClCCn1ncc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.65
CYP1A2 P05177 1/20 0.64
KMO O15229 3/20 0.62
DAO P14920 1/20 0.51
P2RX7 Q99572 1/20 0.48
ADRA2A P08913 1/20 0.46
POLB P06746 3/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL319515 0.89 RECQL (0.61) RECQLCYP1A2KMODAOP2RX7
SCHEMBL7331551 0.83 RECQL (0.69) RECQLCYP1A2KMODAOP2RX7
SCHEMBL20083662 0.82 CYP1A2 (0.62) RECQLCYP1A2KMODAOP2RX7
SCHEMBL20083661 0.82 CYP1A2 (0.62) RECQLCYP1A2KMODAOP2RX7
SCHEMBL731073 0.82 CYP1A2 (0.62) RECQLCYP1A2KMODAOP2RX7
SCHEMBL20083802 0.82 CYP1A2 (0.62) RECQLCYP1A2KMODAOP2RX7
SCHEMBL5565705 0.82 CYP1A2 (0.62) RECQLCYP1A2KMODAOP2RX7
SCHEMBL29487638 0.82 CYP1A2 (0.62) RECQLCYP1A2KMODAOP2RX7
SCHEMBL31429458 0.82 KMO (0.65) RECQLCYP1A2KMODAOP2RX7
SCHEMBL29947768 0.82 CYP1A2 (0.62) RECQLCYP1A2KMODAOP2RX7

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-102325752-B Carbazole and carboline kinase inhibitors BRISTOL MYERS SQUIBB CO 2015-02-04 CN disclosed