SCHEMBL7985074

SCHEMBL7985074

COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MAPT P10636 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ SRPK1 Q96SB4 3/20 0.49
▸ CYP2C9 P11712 1/20 0.48
▸ RBP4 P02753 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ EPAS1 Q99814 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL7364367 0.84 PRMT1 (0.64) PRMT1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7971528 0.82 KMT2A (0.66) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL4278043 0.81 WDR5 (0.52) ALDH1A1SMN1; SMN2MAPTNPC1RBP4
SCHEMBL2771812 0.80 KDM4E (0.65) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL7971257 0.78 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1481753 0.78 DDR1 (0.52) ALDH1A1SMN1; SMN2MAPTNPC1RBP4
SCHEMBL2771499 0.78 SMN1; SMN2 (0.62) ALDH1A1KMT2ASMN1; SMN2HSD17B10MAPT
SCHEMBL4653292 0.78 MAPT (0.66) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL19212421 0.77 SRPK1 (0.49) NPY2RSRPK1SIGMAR1
SCHEMBL7388920 0.77 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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
US-6323207-B1 TREATMENT OR REDUCTION OF TISSUE DAMAGE DUE TO ISCHAEMIA WHICH COMPRISES ADMINISTERING TO A HOST SUFFERING FROM ISCHAEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-27 — — US disclosed
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