SCHEMBL11773777

SCHEMBL11773777

Cc1cc2nnc(Br)n2c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.58
▸ ALDH1A1 P00352 7/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ HPGD P15428 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DAPK3 O43293 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ RPS6KA3 P51812 1/20 0.45

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
SCHEMBL11779422 0.83 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL11775838 0.80 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL10577616 0.80 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL11776024 0.80 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL11775977 0.78 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL10840481 0.74 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL26078910 0.71 CHEK1 (0.53) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL5819155 0.70 KDM4E (0.68) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL10842636 0.69 POLB (0.51) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL10149199 0.68 SMN1; SMN2 (0.53) KDM4EALDH1A1MEN1KMT2AHPGD

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-3953457-A S-TRIAZOLO(4,3-A)QUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1976-04-27 — — US disclosed
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