SCHEMBL7958240

SCHEMBL7958240

O=C(Nc1ccncc1)C1=C(O)CCc2c1nc1ccccn21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
NTRK1 P04629 2/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7418952 0.92 RAB9A (0.44) LMNAGLARAB9ASMN1; SMN2NPC1
SCHEMBL7959855 0.90 LMNA (0.44) LMNAGLARAB9ASMN1; SMN2NPC1
SCHEMBL7949796 0.88 RAB9A (0.44) LMNARAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7416321 0.88 MAPT (0.47) LMNAGLARAB9ASMN1; SMN2NPC1
SCHEMBL7411535 0.88 SMN1; SMN2 (0.55) LMNAGLARAB9ASMN1; SMN2NPC1
SCHEMBL7961855 0.88 SMN1; SMN2 (0.55) LMNAGLARAB9ASMN1; SMN2NPC1
SCHEMBL8873046 0.86 CHRNB2 (0.41) RAB9ANPC1NTRK1MAPTKDM4E
SCHEMBL7412773 0.86 LMNA (0.41) LMNAGLARAB9ASMN1; SMN2NPC1
SCHEMBL7950029 0.86 RAB9A (0.44) LMNAGLARAB9ASMN1; SMN2NPC1
SCHEMBL7964322 0.85 NTRK1 (0.43) RAB9ANPC1KMT2AGAANTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US claimed
US-6218384-B1 FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US disclosed