SCHEMBL11614989

SCHEMBL11614989

CC(=O)Nc1ccnc(CN)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ TNNI3 P19429 1/20 0.44
▸ TNNT2 P45379 1/20 0.44
▸ TNNC1 P63316 1/20 0.44
▸ RUNX1 Q01196 1/20 0.44
▸ CBFB Q13951 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43

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
SCHEMBL3401753 0.85 PRKCI (0.47) PRKCIALDH1A1TDP1KDM4ERAB9A
SCHEMBL7664017 0.85 PRKCI (0.47) PRKCIALDH1A1TDP1KDM4ERAB9A
SCHEMBL23015823 0.85 PRKCI (0.61) PRKCIALDH1A1TDP1KDM4ERAB9A
Hydrochloric Acid SCHEMBL10889082 0.82 KMT2A (0.46) PRKCIALDH1A1TDP1KDM4ERAB9A
SCHEMBL9687654 0.80 PRKCI (0.43) PRKCIALDH1A1TDP1KDM4ERAB9A
SCHEMBL24814072 0.78 MEN1 (0.48) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL5520232 0.77 JAK2 (0.56) ALDH1A1TDP1KDM4ERAB9AMEN1
SCHEMBL27203955 0.77 PRKCI (0.41) PRKCIALDH1A1TDP1GAA
SCHEMBL197857 0.77 KDM5A (0.54) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL11615543 0.77 PRKCI (0.38) PRKCIALDH1A1KDM4EPOLBGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 — — US disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 — — US disclosed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 — — US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 — — US disclosed
Send feedback