SCHEMBL27681815

SCHEMBL27681815

CC[n+]1ccn(CCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ PON1 P27169 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ACHE P22303 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MAOA P21397 1/20 0.36

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
SCHEMBL1076866 0.85 KMT2A (0.42) KMT2APOLBATMCA1CA2
SCHEMBL21250472 0.84 PON1 (0.43) KMT2ACA1CA2PON1MEN1
Iodide SCHEMBL9160116 0.83 KMT2A (0.41) KMT2APOLBATMCA1CA2
Bromide SCHEMBL1077950 0.83 KMT2A (0.43) KMT2APOLBATMCA1CA2
SCHEMBL3457649 0.83 MAPT (0.41) KMT2APOLBCA1CA2PON1
Bromide SCHEMBL29018746 0.81 MEN1 (0.41) KMT2APOLBCA1CA2TP53
Hydrochloric Acid SCHEMBL27152543 0.81 CYP19A1 (0.43) KMT2APOLBCA1CA2PON1
SCHEMBL925001 0.79 KMT2A (0.46) KMT2APOLBATMCA1CA2
Hydrochloric Acid SCHEMBL8137482 0.78 KMT2A (0.45) KMT2APOLBATMPON1ACHE
SCHEMBL20516569 0.78 MEN1 (0.43) KMT2AMEN1MAPTNPSR1

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-100489025-C Vinyl chloride resin composition ASAHI DENKA CO LTD (JP) 2009-05-20 — — CN disclosed
CN-1997705-A Vinyl chloride resin composition ASAHI DENKA CO LTD (JP) 2007-07-11 — — CN disclosed
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