SCHEMBL29664704

SCHEMBL29664704

O=C(O)c1ccncc1N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM6B O15054 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4A O75164 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CDC7 O00311 1/20 0.44
CDK9 P50750 1/20 0.44
PIM1 P11309 2/20 0.44
PIM3 Q86V86 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
HIPK2 Q9H2X6 1/20 0.43
GSK3A P49840 1/20 0.43

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
SCHEMBL18394720 1.00 KDM4C (0.47) KDM4CKDM4EMAPTALDH1A1TDP1
SCHEMBL28509680 0.98 KDM4C (0.49) KDM4CKDM4EMAPTALDH1A1TDP1
SCHEMBL29575095 0.84 SMN1; SMN2 (0.47) KDM4CKDM4EMAPTALDH1A1TDP1
SCHEMBL18395417 0.84 SMN1; SMN2 (0.47) KDM4CKDM4EMAPTALDH1A1TDP1
SCHEMBL4309528 0.83 CDC7 (0.62) KDM4CKDM4EMAPTALDH1A1TDP1
SCHEMBL15286530 0.83 CA12 (0.55) KDM4CKDM4EMAPTALDH1A1TDP1
SCHEMBL5800319 0.80 MAPT (0.56) KDM4EMAPTALDH1A1TDP1L3MBTL1
SCHEMBL15286333 0.78 KDM4E (0.47) KDM4CKDM4EMAPTALDH1A1TDP1
SCHEMBL3627591 0.75 NPC1 (0.61) KDM4EMAPTALDH1A1TDP1L3MBTL1
SCHEMBL227731 0.75 NPC1 (0.71) KDM4EALDH1A1L3MBTL1SMN1; SMN2GAA

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-111386118-B Combination pharmaceutical agents as RSV inhibitors 英安塔制药有限公司 2023-05-09 CN disclosed
CN-108200760-B Benzodiazepine derivatives as RSV inhibitors 英安塔制药有限公司 2022-04-01 CN disclosed