SCHEMBL28821523

SCHEMBL28821523

OC1=C2C=C(c3ccccc3)C(=N2)C(c2ccccn2)=C2C=CC(=N2)C(c2ccccn2)=C2C=CC(=N2)C(c2ccccn2)=C2C=CC1=N2

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CCR1 P32246 1/20 0.30
▸ CCR5 P51681 1/20 0.30
▸ CCR8 P51685 1/20 0.30
▸ METAP1 P53582 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ DOHH Q9BU89 1/20 0.30
▸ P4HTM Q9NXG6 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30

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
SCHEMBL28049044 0.86 — —
SCHEMBL28025881 0.80 — —
SCHEMBL28247693 0.79 — —
SCHEMBL4410148 0.77 KDM4E (0.43) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL4413920 0.77 KDM4E (0.43) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL4409178 0.77 KDM4E (0.43) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL4407509 0.77 KDM4E (0.43) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL599823 0.76 KDM4E (0.52) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL27960566 0.70 — —
SCHEMBL27890437 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104801344-A Catalyst for catalyzing oxidation of cyclohexane and preparation method of catalyst UNIV ZHENGZHOU LIGHT IND 2015-07-29 — — CN disclosed
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