SCHEMBL11560640

SCHEMBL11560640

Cc1ccc2c(O)ccnc2n1.Cc1ccc2c(O)ccnc2n1.Cl[Cr]Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
OPRK1 P41145 1/20 0.40
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
ADORA1 P30542 3/20 0.33
METAP2 P50579 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA2A P29274 3/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL2025555 0.93 KMT2A (0.44) KMT2AOPRK1MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL11566738 0.91 KMT2A (0.43) KMT2AOPRK1MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL11567075 0.91 KMT2A (0.43) KMT2AOPRK1MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL11568340 0.91 KMT2A (0.43) KMT2AOPRK1MAPTGAAKDM4E
SCHEMBL11567724 0.91 KMT2A (0.43) KMT2AOPRK1MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL11567780 0.91 KMT2A (0.43) KMT2AOPRK1MAPTGAAKDM4E
SCHEMBL11565911 0.90 KMT2A (0.40) KMT2AOPRK1MAPTGAAKDM4E
SCHEMBL11564820 0.90 KMT2A (0.40) KMT2AOPRK1MAPTGAAKDM4E
Zinc Chloride SCHEMBL11566258 0.90 KMT2A (0.40) KMT2AOPRK1MAPTGAAKDM4E
SCHEMBL11565819 0.90 KMT2A (0.40) KMT2AOPRK1MAPTGAAKDM4E

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-4169092-A Transition metal-naphthyridine chemical complexes BAYER JOHN W 1979-09-25 US disclosed