SCHEMBL8800942

SCHEMBL8800942

O=C(O)Cc1c[nH]c2cc(Cl)c(Br)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.58
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 3/20 0.54
TSHR P16473 2/20 0.54
CYP2C9 P11712 2/20 0.54
NFKB1 P19838 2/20 0.54
GLA P06280 1/20 0.54
PMP22 Q01453 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 3/20 0.49
GPR84 Q9NQS5 1/20 0.43
GPR17 Q13304 1/20 0.40
ICMT O60725 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 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
SCHEMBL5915286 0.87 ALDH1A1 (0.59) CSNK2A1ALDH1A1LMNAHPGDTSHR
SCHEMBL28489662 0.83 CSNK2A1 (0.53) CSNK2A1LMNAHPGDCYP2C9NFKB1
SCHEMBL28485263 0.81 CSNK2A1 (0.51) CSNK2A1LMNAHPGDCYP2C9NFKB1
SCHEMBL27569328 0.81 ALDH1A1 (0.52) CSNK2A1ALDH1A1LMNAHPGDTSHR
SCHEMBL5378636 0.78 LMNA (0.49) CSNK2A1ALDH1A1LMNAHPGDTSHR
SCHEMBL15300738 0.78 PRKAB2 (0.59) CSNK2A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24814499 0.76 MTNR1A (0.48) CSNK2A1ALDH1A1LMNAHPGDTSHR
SCHEMBL22678670 0.76 ALDH1A1 (0.66) ALDH1A1LMNAHPGDTSHRCYP2C9
SCHEMBL8577532 0.75 KDM4E (0.59) ALDH1A1LMNAHPGDTSHRCYP2C9
SCHEMBL29623480 0.75 GPR84 (0.65) ALDH1A1LMNAHPGDTSHRCYP2C9

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
EP-0476930-B1 Enzyme assays SANKYO CO (JP) 1997-11-12 EP claimed
CN-119061107-A Color reagent, culture medium and application thereof in detection and/or identification of candida 郑州安图生物工程股份有限公司 2024-12-03 CN disclosed