SCHEMBL9688890

SCHEMBL9688890

Nc1c(Cl)ccc(C(=O)O)c1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HNF4A P41235 1/20 0.41
POLB P06746 1/20 0.41
PTPN1 P18031 4/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
PTPRG P23470 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
CDC25B P30305 1/20 0.38
CASP6 P55212 1/20 0.38
RCE1 Q9Y256 1/20 0.38
ADCY10 Q96PN6 1/20 0.38

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
SCHEMBL28779662 0.83 HNF4A (0.44) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL7036187 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL26502 0.80 HNF4A (0.53) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL5455144 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL29921822 0.78 HNF4A (0.51) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL7064920 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL8368640 0.77 HNF4A (0.56) ALDH1A1KMT2AMEN1LMNAHNF4A
SCHEMBL4369651 0.77 PTPN1 (0.49) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL28568279 0.76 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL3364468 0.76 CLCN2 (0.44) ALDH1A1KMT2AMEN1MAPTHNF4A

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-0506709-A1 ARTHROPODICIDAL PYRAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-07 EP disclosed
WO-1991008207-A1 ARTHROPODICIDAL PYRAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-13 WO disclosed