SCHEMBL8630801

SCHEMBL8630801

Nc1n[c]ncc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
THRB P10828 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
GABRP O00591 5/20 0.36
GABRD O14764 5/20 0.36
GABRA1 P14867 5/20 0.36
GABRB1 P18505 5/20 0.36
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA5 P31644 5/20 0.36

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
SCHEMBL8631625 0.77 TSHR (0.46) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL2442379 0.77 KDM4E (0.32) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL2439685 0.75 KDM4E (0.43) KDM4EKMT2AALDH1A1MEN1TDP1
SCHEMBL8629182 0.75 SMN1; SMN2 (0.42) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL7249210 0.71 ASPH (0.39) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL15415804 0.68 DHODH (0.40) KDM4EKMT2AALDH1A1MEN1POLB
SCHEMBL15414913 0.68 DHODH (0.37) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL15415487 0.67 DHODH (0.41) KDM4EALDH1A1POLB
SCHEMBL15415816 0.67 DHODH (0.41) KDM4EALDH1A1POLB
SCHEMBL15415956 0.65 KDM4E (0.42) KDM4EALDH1A1CYP3A4USP2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed