SCHEMBL10696833

SCHEMBL10696833

O=C(OCc1cccnc1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
KDM4E B2RXH2 4/20 0.50
MAPK1 P28482 1/20 0.50
TSHR P16473 2/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP1B1 Q16678 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HPGD P15428 3/20 0.47

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
SCHEMBL3048365 0.84 ALDH1A1 (0.65) POLBKMT2ALMNATDP1ALDH1A1
Hydrochloric Acid SCHEMBL11490589 0.80 KMT2A (0.56) POLBKMT2ALMNATDP1ALDH1A1
SCHEMBL17335809 0.79 POLB (0.58) POLBLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL7280152 0.78 NR4A2 (0.51) KMT2ALMNATDP1ALDH1A1TSHR
SCHEMBL27597233 0.77 KMT2A (0.82) KMT2ALMNATDP1ALDH1A1KDM4E
SCHEMBL30335693 0.77 KMT2A (0.82) KMT2ALMNATDP1ALDH1A1KDM4E
SCHEMBL27891487 0.76 ALDH1A1 (0.58) POLBKMT2ALMNATDP1ALDH1A1
SCHEMBL290287 0.75 TDP1 (0.85) KMT2ALMNATDP1ALDH1A1L3MBTL1
SCHEMBL786986 0.74 CDC25B (0.61) POLBKMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL4245622 0.74 KMT2A (0.58) KMT2ALMNATDP1ALDH1A1KDM4E

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-4734406-A 3-pyridylmethylnaphthyl derivatives and composition containing them useful to inhibit thromboxane synthetase HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed