SCHEMBL8100226

SCHEMBL8100226

Cc1ccn2c(=O)cc(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ RAD51 Q06609 2/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM5B Q9UGL1 1/20 0.44
▸ PSD A5PKW4 2/20 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
SCHEMBL8100199 0.90 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL7925160 0.86 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL1661610 0.85 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL8102024 0.85 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL8101681 0.83 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL1661596 0.83 KDM5B (0.44) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL1660676 0.82 KDM4E (0.45) KDM4EALDH1A1MAPTTP53KDM5B
SCHEMBL8101672 0.81 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL8108176 0.81 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL8099805 0.80 NPC1 (0.58) KDM4EALDH1A1SMN1; SMN2MAPTTP53

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
US-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 — — US disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 — — US disclosed
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