SCHEMBL9033931

SCHEMBL9033931

CC1Cc2c(F)c(F)cc3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 8/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TOP2A P11388 7/20 0.40
▸ TOP2B Q02880 7/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ ALB P02768 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ AADAT Q8N5Z0 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 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
SCHEMBL8320158 0.89 LMNA (0.53) LMNAKDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL8091043 0.84 LMNA (0.58) LMNAKDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL9582818 0.84 LMNA (0.58) LMNAKDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL9582803 0.84 LMNA (0.58) LMNAKDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL8202076 0.84 LMNA (0.38) LMNAKDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL9036043 0.83 LMNA (0.46) LMNAKDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL9034917 0.83 KDM4E (0.55) LMNAKDM4ETOP2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL9036371 0.82 KDM4E (0.54) LMNAKDM4ETOP2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL9035308 0.82 LMNA (0.46) LMNAKDM4ETOP2ATOP2BKMT2A
Hydrochloric Acid SCHEMBL9035741 0.82 LMNA (0.45) LMNAKDM4ESMN1; SMN2TOP2ATOP2B

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
EP-0390135-B1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMA CO LTD (JP) 1996-06-05 — — EP claimed
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