SCHEMBL28178019

SCHEMBL28178019

Fc1ccc(-c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD11 O00231 1/20 0.49
▸ PDPK1 O15530 1/20 0.49
▸ PARP1 P09874 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ QPCT Q16769 5/20 0.44
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ IP6K1 Q92551 1/20 0.42
▸ IP6K3 Q96PC2 1/20 0.42
▸ QPCTL Q9NXS2 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ AOC2 O75106 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
SCHEMBL6008269 0.88 MAPT (0.50) MAPTQPCTSMN1; SMN2QPCTLKDM4E
SCHEMBL31143361 0.88 MAPT (0.50) MAPTQPCTSMN1; SMN2QPCTLKDM4E
SCHEMBL28178020 0.85 PSMD11 (0.64) PSMD11PARP1MAPTQPCTPIK3CA
SCHEMBL903276 0.84 PARP1 (0.52) PSMD11PDPK1PARP1MAPTQPCT
SCHEMBL2457365 0.83 QPCT (0.50) PDPK1PARP1MAPTQPCTSMN1; SMN2
SCHEMBL7021134 0.81 QPCT (0.49) PDPK1MAPTQPCTQPCTLKDM4E
SCHEMBL13373486 0.81 PARP1 (0.46) PARP1MAPTQPCTQPCTLKDM4E
SCHEMBL25912038 0.81 PARP1 (0.46) PARP1MAPTQPCTSMN1; SMN2QPCTL
SCHEMBL28178021 0.81 PARP1 (0.46) PARP1MAPTQPCTPOLBQPCTL
SCHEMBL13373351 0.81 ALDH1A1 (0.46) PARP1MAPTQPCTPOLBQPCTL

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
CN-107312008-B A kind of catalysis prepares the catalyst and system and method for benzimidazole simultaneously [2,1-b] quinoline -6- ketone derivatives 马鞍山市泰博化工科技有限公司 2019-08-27 — — CN disclosed
CN-107312008-A A kind of easy catalysis prepares the catalyst and system and method for benzimidazole simultaneously ketone derivatives of [2,1 b] quinoline 6 马鞍山市泰博化工科技有限公司 2017-11-03 — — CN disclosed
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