SCHEMBL11368772

SCHEMBL11368772

CCCc1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
RAD52 P43351 1/20 0.41
UBE2N P61088 1/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DDAH1 O94760 1/20 0.40
RHEB Q15382 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10578214 0.91 POLB (0.45) KMT2AKDM4ERAD52POLBTDP1
SCHEMBL11372794 0.87 DDAH1 (0.54) KMT2APOLBNPC1RAB9ADDAH1
Hydrochloric Acid SCHEMBL11376325 0.83 KMT2A (0.48) KMT2AKDM4ERAD52UBE2NPOLB
SCHEMBL4241945 0.80 MAPT (0.51) KMT2AKDM4EDDAH1RHEBHSD17B10
SCHEMBL10955417 0.80 TDP1 (0.41) POLBNPC1RAB9ADDAH1RHEB
SCHEMBL10578208 0.79 KMT2A (0.55) KMT2AKDM4ERAD52UBE2NPOLB
SCHEMBL6757230 0.79 KMT2A (0.60) KMT2AKDM4EPOLBNPC1RAB9A
SCHEMBL12348255 0.78 S1PR4 (0.49) KMT2APOLBNPC1RAB9A
SCHEMBL10030890 0.78 TDP1 (0.49) KMT2AKDM4EPOLBDDAH1TDP1
SCHEMBL8807127 0.78 MAPT (0.55) KMT2AKDM4ERAD52NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243806-A ANTIALLERGENS; ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-06 US disclosed
US-4179505-A ANTIALLERGENS; ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed