SCHEMBL10996910

SCHEMBL10996910

CC1Cc2c(N3CCCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.68
▸ KDM4E B2RXH2 12/20 0.59
▸ ALDH1A1 P00352 6/20 0.59
▸ HPGD P15428 5/20 0.59
▸ HSD17B10 Q99714 5/20 0.59
▸ ALB P02768 1/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.59
▸ POLB P06746 4/20 0.58
▸ AADAT Q8N5Z0 2/20 0.58
▸ TUBB4A P04350 1/20 0.58
▸ TUBB P07437 1/20 0.58
▸ TUBA3C P0DPH7 1/20 0.58
▸ TUBA1B P68363 1/20 0.58
▸ TUBA4A P68366 1/20 0.58
▸ TUBB4B P68371 1/20 0.58
▸ TUBB3 Q13509 1/20 0.58
▸ TUBB2A Q13885 1/20 0.58
▸ TUBB8 Q3ZCM7 1/20 0.58
▸ TUBA3E Q6PEY2 1/20 0.58
▸ TUBA1A Q71U36 1/20 0.58

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
SCHEMBL11000457 0.99 LMNA (0.67) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9582683 0.92 KDM4E (0.71) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9581753 0.92 KDM4E (0.71) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9034716 0.92 KDM4E (0.71) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9035040 0.91 KDM4E (0.69) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9582997 0.91 KDM4E (0.69) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10996775 0.91 LMNA (0.65) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10999003 0.91 LMNA (0.65) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10998004 0.91 LMNA (0.83) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10993045 0.91 LMNA (0.65) LMNAKDM4EALDH1A1HPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57176987-A — — None — — JP disclosed
US-4552879-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 — — US disclosed
US-4399134-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-08-16 — — US disclosed
JP-S57176987-A PYRROLO(3,2,1-IJ)QUINOLINE-5-CARBOXYLIC ACID DERIVATIVE OTSUKA PHARMACEUT CO LTD 1982-10-30 — — JP disclosed
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