SCHEMBL21783230

SCHEMBL21783230

C=C(C)c1cc2c(=O)c(C(=O)O)cn(CC)c2nc1N1CCN(C(=O)OC(P(=O)(O)O)P(=O)(O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ ATP6V1B2 P21281 1/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ EDNRA P25101 1/20 0.50
▸ TARBP2 Q15633 1/20 0.50
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ ENPP2 Q13822 7/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TSHR P16473 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
SCHEMBL23197066 0.89 LMNA (0.65) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL21783167 0.76 HSD17B10 (0.55) LMNAMEN1KMT2AKDM4EMAPK1
SCHEMBL21074647 0.75 HSD17B10 (0.69) LMNAMEN1KMT2AKDM4EMAPK1
SCHEMBL11035359 0.75 LMNA (0.72) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL23197636 0.75 LMNA (0.64) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL21074731 0.74 LMNA (0.57) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL14176522 0.73 LMNA (0.69) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL659309 0.73 LMNA (0.69) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL18213620 0.71 LMNA (0.65) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8044673 0.70 LMNA (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020014269-A9 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC, LLC. (US) 2020-03-05 — — WO disclosed
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