SCHEMBL8102468

SCHEMBL8102468

C[C@@H](c1cncn1Cc1ccc(C#N)cc1)N(C)C(=O)C1CCCN(Cc2cccc(Br)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.42
FNTA P49354 7/20 0.42
FNTB P49356 7/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PGGT1B P53609 5/20 0.41
KCNH2 Q12809 3/20 0.41
CYP3A4 P08684 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
MLNR O43193 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8088208 0.86 FNTA (0.44) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8098299 0.85 CCR5 (0.44) KDM4EHTTKMT2AFNTAFNTB
SCHEMBL8101310 0.84 KCNH2 (0.48) KDM4EHTTMEN1KMT2AALDH1A1
SCHEMBL8425934 0.84 KCNH2 (0.48) KDM4EHTTMEN1KMT2AALDH1A1
SCHEMBL8097399 0.79 GPR119 (0.43) MEN1KMT2AALDH1A1FNTAFNTB
SCHEMBL8097850 0.78 FNTA (0.52) KDM4EHTTMEN1KMT2AFNTA
SCHEMBL8088212 0.78 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8530784 0.78 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8088935 0.78 FNTA (0.52) KDM4EHTTMEN1KMT2AFNTA
SCHEMBL8095348 0.76 KMT2A (0.51) KDM4EMEN1KMT2AFNTAFNTB

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
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed