SCHEMBL9077987

SCHEMBL9077987

C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC4(CC4)C3)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ ATP6V1B2 P21281 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ EDNRA P25101 1/20 0.52
▸ TARBP2 Q15633 1/20 0.52
▸ KMT2A Q03164 1/20 0.42
▸ EPHA2 P29317 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ TBXAS1 P24557 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ DPP4 P27487 6/20 0.39
▸ KDM4E B2RXH2 7/20 0.38
▸ HSD17B10 Q99714 7/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 6/20 0.38
▸ HTT P42858 2/20 0.38
▸ POLB P06746 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
SCHEMBL10521403 0.85 LMNA (0.70) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9080354 0.84 DPP4 (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9077675 0.84 LMNA (0.75) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9079201 0.84 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9080327 0.82 KMT2A (0.64) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9078272 0.81 ALDH1A1 (0.51) LMNACYP2C9KMT2AKDM4EHSD17B10
SCHEMBL9078737 0.80 KDM4E (0.49) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9080381 0.79 ALDH1A1 (0.45) LMNACYP2C9KDM4EHSD17B10ALDH1A1
SCHEMBL9080772 0.79 KCNH2 (0.45) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9079699 0.78 EPHA2 (0.49) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 — — US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 — — US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 — — EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 — — EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 — — EP disclosed
Send feedback