SCHEMBL8629186

SCHEMBL8629186

Cn1[c]nnc1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 4/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 6/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
RAB9A P51151 7/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL1905526 0.73 NPC1 (0.47) NPC1SMN1; SMN2TP53TSHRKDM4E
SCHEMBL3596359 0.69 NPC1 (0.56) NPC1SMN1; SMN2TP53TSHRKDM4E
Dipyridyl SCHEMBL6885910 0.68 KDM4E (0.93) NPC1SMN1; SMN2TP53TSHRKDM4E
Dipyridyl SCHEMBL8655605 0.68 KDM4E (0.93) NPC1SMN1; SMN2TP53TSHRKDM4E
SCHEMBL1445699 0.68 KDM4E (0.50) NPC1SMN1; SMN2TP53TSHRKDM4E
SCHEMBL1544336 0.68 NPC1 (0.55) NPC1SMN1; SMN2TP53TSHRKDM4E
SCHEMBL2474693 0.67 NPC1 (1.00) NPC1SMN1; SMN2TP53TSHRKDM4E
SCHEMBL21893772 0.67 NPC1 (0.48) NPC1SMN1; SMN2TP53TSHRKDM4E
Dipyridyl SCHEMBL27651116 0.66 KDM4E (0.88) NPC1SMN1; SMN2TP53TSHRKDM4E
Dipyridyl SCHEMBL28760321 0.66 KDM4E (0.88) NPC1SMN1; SMN2TP53TSHRKDM4E

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