SCHEMBL7847897

SCHEMBL7847897

O=C(c1ccnc(Cl)c1)c1ccc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.43
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CCND3 P30281 1/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38

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
SCHEMBL7848928 0.82 ATM (0.47) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL27623752 0.79 RECQL (0.47) KDM4CCCNCCDK8KMT2AMEN1
SCHEMBL4227036 0.78 KMT2A (0.57) ATMKDM4CRAB9ANPC1SMN1; SMN2
SCHEMBL7847490 0.76 NPC1 (0.55) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL9772454 0.76 ATM (0.55) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL10633345 0.75 SRD5A2 (0.52) SMN1; SMN2KMT2AMAPTMAPK1TAS1R3
SCHEMBL6424225 0.74 SMN1; SMN2 (0.67) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL10633320 0.73 MEN1 (0.47) ATMRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL20892726 0.72 LMNA (0.55) RAB9ANPC1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL20892408 0.72 LMNA (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763530-B1 Chloropyridylcarbonyl derivatives and their use as microbiocides BAYER AGROCHEM KK (JP) 2001-12-05 — — EP disclosed
US-5849767-A Chloropyridylcarbonyl derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-12-15 — — US disclosed
EP-0763530-A1 Chloropyridylcarbonyl derivatives and their use as microbiocides NIHON BAYER AGROCHEM K.K. (JP) 1997-03-19 — — EP disclosed
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